GRADE & PURITYMoligand™?Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
External Descriptors
Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
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Application Protocols
Item-specific facts (from Product Data)
No validated application protocols are provided for this item.
General small-molecule screening protocol (not item-specific; adapt to your assay)
Stock solution: Dissolve compound at 10–50 mM in anhydrous DMSO. Verify by visual inspection and LC–MS if required. Store as single-use aliquots.
Plate setup: Prepare serial dilutions (e.g., 10-point, 1:3) in DMSO. Transfer to assay plate to achieve 0.1–30 µM final concentrations with constant DMSO (typically 0.5% v/v).
Assay buffer: PBS, HEPES, or Tris at physiological pH with 0.01–0.05% nonionic surfactant to reduce aggregation/adsorption.
Controls: Include vehicle (DMSO), positive control ligand/inhibitor, and orthogonal interference controls (detergent control, redox/fluorescence counter-assays as applicable).
Data QC: Fit concentration–response with appropriate models (four-parameter logistic). Flag shallow slopes, bell-shaped curves, or high Hill coefficients for follow-up.
Triage: Confirm hits by re-ordering/resynthesis, re-testing in fresh stock, and evaluating purity/identity by LC–MS/NMR.
Biological Roles
Item-specific facts (from Product Data)
No biological role, pathway, or target information is provided for this item.
Applicability note
Because the structure and target are undisclosed in this catalog entry, specific biological roles cannot be assigned. Any mechanistic or pathway claims would be speculative. Use only for research screening as indicated.
General guidance for researchers (not item-specific)
If activity is observed in assays, perform orthogonal counterscreens to exclude assay interference, aggregation, redox cycling, or fluorescence artifacts.
For putative target assignment post-hit, consider CETSA/TPP for engagement, CRISPR knockouts/knockdowns for genetic validation, chemoproteomics for covalent binders, and cellular localization studies.
ADME profiling: Once structure is disclosed, evaluate permeability (PAMPA/MDCK), metabolic stability (HLM/Microsomes), plasma protein binding, and basic physicochemical properties (pKa, logD, solubility) to understand potential biological behavior.
Documentation
Record batch number/lot, solution concentration, and plate maps to ensure that any biological observations can be traced to the correct material. Attach CoA/SDS to the study record.
Buffer Applications
Relevance statement
This product is a small-molecule library member and is not a buffering agent. Therefore, standard buffer system recipes (e.g., phosphate, HEPES, Tris) do not apply to the compound itself.
Practical guidance for use in buffered assays (general; not item-specific)
Maintain constant vehicle: Keep DMSO concentration identical across all wells/samples to avoid buffer-dependent artifacts.
Typical assay buffers: PBS (pH 7.2–7.4), HEPES (pH 7.2–7.6), or Tris (pH 7.4–8.0) with optional 0.01–0.05% nonionic surfactant to reduce nonspecific adsorption and aggregation.
pH considerations: Unknown ionization profile necessitates testing across a small pH window to optimize solubility and target stability.
Metal sensitivity: If the target is metalloenzyme-related, include/omit metal chelators (e.g., EDTA) systematically to assess interference, but verify compound compatibility first.
Filtration: If precipitation is suspected, 0.2 µm filtration of the assay buffer (not the compound stock) can improve reproducibility; avoid filtering low-solubility compound solutions which may lead to loss.
Green Alternatives
This section focuses on greener choices for handling and assay workflows rather than the molecule itself, since structure-specific alternatives cannot be proposed.
Item-specific facts
No solvent or process requirements are specified for this item; refer to CoA/Spec Sheet.
Greener handling strategies (general)
Solvent selection for prep/dissolution:
Prefer water-based buffers with minimal DMSO (≤0.5–1% v/v) at point-of-use.
When organic co-solvent is necessary, prioritize MeOH or ethanol over DMF/NMP. Use ACN judiciously.
Waste minimization:
Use miniaturized assay volumes (≤10–20 µL) and pre-plated single-use aliquots to reduce solvent and consumables waste.
Consolidate rinse steps and adopt aqueous-compatible plate washes.
Energy and logistics:
Store at ambient temperature as specified to avoid unnecessary cold-chain energy use. Protect from light/humidity as needed.
Green chemistry in follow-up synthesis (general literature guidance, not item-specific):
Consider 2‑MeTHF or CPME as ethers replacing THF; water/ethanol as media for polar reactions; catalytic over stoichiometric reagents; flow microreactors for intensified, safer operations.
Aqueous buffers: Best for screening readouts; lowest environmental footprint when compatible.
Pharmaceutical Uses
Applicability statement
This product is offered strictly for research use only. No pharmacopeial status, excipient role, or clinical/formulation use is specified. It is not intended for human or veterinary use.
General information for workflow planning (not item-specific)
Early discovery: Such library members are typically used for target validation, hit identification, and SAR exploration only. Any translation toward development requires full structure disclosure, comprehensive CMC, and compliance with GLP/GMP—none of which are provided here.
Impurities/extractables: For screening-grade materials, extractables/leachables from storage vials and residual solvents should be considered if biological readouts are highly sensitive. Run appropriate blanks.
Documentation: Archive batch CoA and SDS with study data to support future triage. If the molecule progresses, re-source under development-grade specifications and establish full quality attributes (identity, purity, potency, stability).
Physical Properties
Item-specific facts (from Product Data)
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Physical constants (MP, BP, density, refractive index, logP, pKa, solubility): Not specified for this item; refer to CoA/Spec Sheet.
Practical guidance (general, not item-specific)
Solubility planning: For unknown small molecules in screening, prepare a 10–50 mM DMSO master stock; confirm clarity at working dilutions (≤1% DMSO in assay) and check for precipitation upon dilution into aqueous buffers (with/without 0.01–0.05% nonionic surfactant).
Hygroscopicity/volatility: Unknown. Handle quickly on the bench; recap promptly. If powder, weigh in a low-humidity environment. If supplied as a DMSO solution, protect from evaporation.
Polymorphism: Unknown. If crystallinity affects dissolution, sonication and gentle warming (≤40 °C) can assist. Avoid prolonged heat exposure without data.
Stability screening: Conduct a small stress test (light, pH 2/7.4/9, 40 °C, 24–48 h) analyzed by LC–UV/LC–MS to define handling windows before high-throughput use.
Measurement tips (general methods)
MP/BP: DSC or micro melting-point for solids; TGA/DSC for volatility profiling.
Solubility: Kinetic vs thermodynamic solubility by UV area-under-curve or LC–MS. Include DMSO controls.
pKa/logP: Determine by potentiometric titration or UV–pH profiling; logD via shake-flask (pH 7.4) or LC retention index.
Quality & Grades
Item-specific facts (from Product Data)
Grade: Moligand™ (library/screening grade). Purity specification: Not specified for this item; refer to CoA/Spec Sheet.
What Moligand™ implies (general description; not a substitute for CoA)
Intended use: Research screening in biochemical, biophysical, and cellular assays. Emphasis on consistency, identity, and suitability for HTS/structure–activity workflows.
Typical QC for library compounds (literature/common practice): Identity confirmation by LC–MS and 1H NMR; chromatographic purity by HPLC/UPLC with UV at multiple wavelengths; water/volatile content by Karl Fischer/TGA as needed. Exact methods/acceptance criteria are item-specific and must be verified on the CoA.
UV background: For assays using UV detection, low baseline absorbance near the assay readout wavelength is desirable. If critical (e.g., HPLC detection at 210–254 nm), confirm on CoA or perform a quick UV scan.
Salt form/solvent of delivery: Library items may be supplied as free base/acid, salt, or in DMSO. Confirm the exact form and concentration on the label/CoA to calculate molarity precisely.
Practical advice
Upon receipt, record batch/lot, confirm integrity (visual, LC–MS spot check if required), and bar-code for plate mapping. If blinded, maintain the vendor ID mapping table securely for deconvolution after hit triage.
For regulated or publication-grade data, archive CoA/SDS alongside raw assay data for traceability.
Reaction & Applications
Item-specific facts (from Product Data)
Manufacturer Applications: Not specified in the catalog entry for this item.
Typical applications for Moligand™ library compounds (general; not item-specific)
Primary and secondary screening in biochemical assays (enzyme activity/inhibition, receptor binding) with DMSO stocks and aqueous buffers.
Cellular assays: Viability, reporter, or pathway modulation readouts to triage hits and assess permeability/efflux liabilities; always include DMSO-only controls.
Orthogonal confirmation: LC–MS target engagement (CETSA-MS, TPP) or chemoproteomics if appropriate after initial activity is observed.
Practical tips
Aggregation/artifact controls: Include 0.01–0.05% nonionic detergent and test concentration dependence; apply PAINS/aggregator filters once structures are disclosed.
Redox/interference: Run counter-assays for redox cycling (H2O2/HRP), fluorescence interference (inner-filter, auto-fluorescence), and metal chelation as needed.
Plate management: Minimize freeze–thaw cycles; use single-use aliquots. Limit DMSO exposure to air to prevent water uptake and concentration drift.
Note on chemical reactions
As the structure is undisclosed here, specific synthetic reaction applications (e.g., named transformations) cannot be provided for this item. Consult the structure release or CoA for reactivity insights if intended for synthetic use.
Reaction Conditions
Applicability statement
No reaction conditions can be specified for this item because the molecular structure and reactive functional groups are not provided in the catalog entry.
General laboratory guidance (not item-specific)
If using the material as a reagent in exploratory chemistry (not the primary intent for Moligand™ items), first obtain full structure and stability data. Conduct small-scale compatibility tests to determine solvent, temperature, and pH tolerance.
Stability screening: Evaluate sensitivity to acids/bases, oxidants/reductants, light, and heat by LC–MS profiling before any synthetic application.
Documentation: Record batch, concentration, and any observed decomposition. Do not extrapolate conditions from unrelated analogs without data.
Safety & Handling
Item-specific facts (from Product Data)
GHS Classification, Signal Word, H‑Statements, Pictograms: Not specified for this item; refer to SDS.
Storage Conditions: Room temperature.
General safety guidance (not item-specific; defer to SDS as authoritative)
Treat as a small molecule of unknown hazards. Use standard laboratory PPE: lab coat, safety glasses, and appropriate gloves (e.g., disposable nitrile). Work in a fume hood during weighing, dissolution, and transfers to avoid inhalation/dermal exposure.
Avoid ingestion, inhalation of dust/aerosols, and contact with skin/eyes. Wash thoroughly after handling. Do not pipette by mouth.
Incompatibilities are unknown; segregate from strong oxidizers/reductants, strong acids/bases, and reactive metals until specific compatibility is known.
First aid (general): In case of skin contact, wash with soap/water; for eye contact, rinse cautiously with water for several minutes; if inhaled, move to fresh air; if swallowed, rinse mouth. Seek medical attention if symptoms occur. Bring SDS when obtaining medical assistance.
Spill/accidental release: Avoid dust formation. Absorb solutions with inert material; collect solids by gentle sweeping with minimal dust. Dispose according to institutional and local regulations.
Fire safety: If combustible, use CO2, dry chemical, or foam. Cool containers with water spray. No specific decomposition data available; avoid heating unknowns.
Environmental: Prevent release to drains until hazard profile is established.
Solvent Selection
Item-specific facts (from Product Data)
No solvent preferences are specified for this item; refer to CoA/Spec Sheet.
General guidance for small-molecule library members (not item-specific)
Stock preparation: DMSO is the default solvent for 10–50 mM master stocks due to broad solubilizing power and assay compatibility up to ~0.5–1% v/v.
Aqueous delivery: Dilute into assay buffer (e.g., PBS, HEPES, Tris) with 0.01–0.05% nonionic surfactant to mitigate precipitation and adsorption. Keep final DMSO constant across wells.
Alternative co-solvents when needed: MeOH or ACN (≤5% v/v) can improve kinetic solubility; avoid DMF/NMP unless necessary due to cytotoxicity/background concerns.
Solubility/instability flags: If turbidity or time-dependent loss is observed, evaluate pH-dependent solubility (pH 2–9), light sensitivity, and oxidative liability; include antioxidants or inert atmosphere only after confirming compatibility.
Quick comparison (general)
DMSO: Highest solvency; good for freezing/aliquoting; can affect enzyme kinetics at >1%.
MeOH: Volatile; compatible with many biochemical readouts at low %; can dehydrate proteins.
ACN: Low viscosity; often acceptable up to ~2%; may denature proteins.
2‑MeTHF/CPME/ethyl lactate: Green options for synthetic handling, but rarely used for biological assays.
Tip: Pre-screen each new item with a solubility and aggregation check (AIDA/DLS) at intended assay concentrations.
Storage & Reconstitution
Item-specific facts (from Product Data)
Storage Conditions: Room temperature.
Shipped In: Not specified for this item; refer to CoA/Spec Sheet.
Appearance and concentration (if solution): Not specified for this item; refer to CoA/Spec Sheet.
General storage guidance (not item-specific)
Solid: Store in original, tightly closed container at ambient temperature in a dry place, protected from light. Use desiccant if humidity is high. Record first-open date.
DMSO solution: Store at room temperature as specified, preferably as single-use, sealed aliquots to avoid evaporation and moisture uptake. If long-term storage is required, many users keep DMSO stocks at −20 °C; validate stability first.
Freeze–thaw: Minimize cycles; use barcoded single-use vials/plates. Thaw to room temperature before opening to prevent condensation ingress.
Reconstitution (general)
Dissolve to 10–50 mM in anhydrous DMSO with brief vortexing and, if needed, gentle sonication. Filter only if necessary (risk of analyte loss).
For aqueous assays, dilute the DMSO stock into buffer with mixing; keep final DMSO constant across samples. Inspect for precipitation or cloudiness and adjust concentration or pH accordingly.
Stability note
Chemical and physical stability are not specified for this item; verify by LC–MS/UPLC after storage under your lab’s conditions. Always defer to the item’s CoA for definitive guidance.
Structure & Identity
Brief overview: This listing is part of the Moligand small‑molecule/compound library. Identity details are intentionally limited in the catalog entry to support blind screening workflows.
Item-specific facts (from Product Data)
SKU: L611577; Product Name: LP-360924
Grade/Purity: Moligand™ (library/screening grade)
CAS: L611577 (catalog identifier; not a standard CAS Registry Number format)
SMILES: Not specified for this item; refer to CoA/Spec Sheet.
Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
Structural description
Structural features (ring systems, functional groups, stereochemistry): Not specified for this item; refer to CoA/Spec Sheet.
2D/line representation: Not provided in the catalog entry. If required for screening registration or ELN import, request the structure disclosure or use the blinded identifier mapping table provided with your library shipment.
General notes (context, not item-specific)
Moligand™ entries are typically drug/ligand-like small molecules curated for biochemical and cell-based screening. When anonymized, identifiers (SKU, internal ID, or vendor CID) enable data tracking without immediate structure disclosure.
For cheminformatics handling (e.g., RDKit import, duplicates checking), defer until structure keys (canonical SMILES/InChI) are released via the CoA or deconvolution file post-screen.
Synthetic Utility
Applicability statement
The compound’s structure and functional groups are not disclosed in this entry; therefore, specific synthetic transformations or named-reaction participation cannot be described for this item.
General guidance (not item-specific)
If the item is later selected as a hit and structure is released, typical next steps include:
Resynthesis from disclosed starting materials to confirm identity and purity.
Analog design (SAR by catalog or custom synthesis) targeting modifications of putative pharmacophores, heteroatom substituents, and lipophilicity.
Scaffold hopping and matched molecular pair analysis to de-risk liabilities (reactivity alerts, PAINS motifs, metabolic soft spots) once functional groups are known.
IP and sourcing: Verify licensing constraints on library members before scale-up or derivative work. Obtain spectral data packages and analytical methods to enable independent QC during resupply.
Practical note
Until the structural information is available, avoid planning multistep routes or building-block strategies around this specific item. Use it solely as a screening reagent as intended.
Target Specificity
Item-specific facts (from Product Data)
Target, pathway, and binding data: Not specified for this item; refer to CoA/Spec Sheet or deconvolution report if part of a blinded screen.
Guidance (general; not item-specific)
Establish specificity through orthogonal assays, concentration–response curves, and off-target panels once preliminary activity is observed.
For enzyme targets: Determine mode of action (competitive, noncompetitive, irreversible) via kinetic analysis. For receptors: Assess selectivity across subtypes using binding or functional assays.
Employ counter-screens against common interference mechanisms (redox cycling, colloidal aggregation, metal chelation, fluorescence/absorbance artifacts) before assigning specificity.
Frequently Asked Questions
What is Moligand??
Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.
How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is L611577. InChIKey OIRCJRUZRVLDFA-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.
Need help choosing the grade?
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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