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 benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
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.
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
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Recensioni
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Application Protocols
No vendor-validated protocols are provided in the product data for this item. The following are general, non–item-specific suggestions for small-molecule screening compounds:
Preparation of DMSO stocks:
Weigh compound quickly to minimize moisture uptake.
Add calculated volume of anhydrous DMSO to achieve 10–50 mM; vortex/sonicate until fully dissolved.
Aliquot into low-bind, amber vials/plates to minimize freeze–thaw and photodegradation.
Assay dilution:
Add stock to buffer to reach desired concentration, keeping final DMSO constant across samples (commonly 0.1–1% v/v).
Include vehicle-only controls; for fluorescence/absorbance assays, include inner-filter/auto-fluorescence controls.
Storage of working plates:
Seal to limit evaporation; store at recommended temperature for the assay window; remake plates regularly to avoid concentration drift.
For any item-specific parameters (e.g., extinction coefficients, interference profiles), consult the CoA/Spec Sheet when available.
Biological Roles
No biological function or target annotation is provided for this item.
Target/mechanism: Not specified for this item; refer to CoA/Spec Sheet or screening annotations if available.
Pathways/processes: Unknown. Treat as an uncharacterized ligand until target deconvolution is completed in your workflow.
General guidance for screening ligands:
Start with broad profiling (e.g., enzyme panels or cellular phenotypes) followed by orthogonal confirmation.
Monitor assay interference: intrinsic fluorescence/absorbance, redox activity, or colloidal aggregation (run detergent controls and dynamic light scattering when feasible).
For cellular work, assess cytotoxicity independently (e.g., resazurin/ATP assays) and keep vehicle controls matched.
No clinical/therapeutic claims are made. Research use only.
Buffer Applications
Buffer system selection is not typically applicable to an undefined small-molecule ligand beyond its compatibility upon dilution.
Practical notes (general):
Common screening buffers: HEPES or phosphate buffers (pH 7.2–7.5) for enzymes and binding assays; Tris-based buffers for some enzymatic systems. Choose based on protein stability and assay readout.
Keep final organic cosolvent low (≤0.5–1% DMSO) and constant across wells/tubes.
If solubility issues arise, consider adding 0.01–0.05% non-ionic surfactant or low concentrations of cyclodextrin; verify that additives do not perturb the assay.
Item-specific buffer pKa/pI-based recommendations cannot be provided without structure.
Green Alternatives
In the absence of item-specific solvent and hazard data, greener practice centers on solvent and process choices during handling and assay preparation.
Greener dissolution and assay strategies (general):
Prefer DMSO as primary stock solvent over DMF/NMP when feasible due to better toxicity profile and established handling in HTS.
Minimize final DMSO concentration in aqueous assays (≤0.5–1% v/v) to reduce solvent burden while maintaining solubility.
Consider aqueous cosolvent systems (DMSO + phosphate buffer) or cyclodextrin inclusion complexes to enhance solubility without resorting to harsher aprotic solvents, if compatible with the biology.
Comparison (general, not item-specific):
DMSO vs DMF/NMP: DMSO generally preferred for worker exposure and environmental profile; DMF/NMP are stronger but more regulated.
Ethanol/PEG 400 co-vehicles: Potentially greener for some biochemical contexts but may impact assay windows; evaluate empirically.
Operational notes:
Use microvolume formats and sealed plates to reduce solvent use and evaporation.
Consolidate compound handling steps and maintain cold-chain only if the structure later indicates instability; otherwise, room-temperature short-term handling reduces energy consumption.
All trade-offs should be validated experimentally against assay performance.
Pharmaceutical Uses
No excipient/functionality or pharmacopeial status is provided for this item.
Formulation role: Not specified for this item; refer to CoA/Spec Sheet if any guidance is available.
Regulatory status: Not established. This product is for research use only and not for human or veterinary use.
General considerations for discovery compounds:
If used in preformulation research, collect solubility (aqueous/cosolvent), stability (pH/light/oxidation), and permeability data once the structure is known.
Avoid extrapolating any biological or therapeutic properties from screening results without rigorous follow-up and regulatory review.
Physical Properties
Item-specific physicochemical properties were not supplied in the product data.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Melting point (literature/computed): Not available; requires structure.
Boiling point (literature/computed): Not available; requires structure.
Density (literature/computed): Not available; requires structure.
Solubility: Not specified for this item; refer to CoA/Spec Sheet. General practice for screening compounds is dissolution in DMSO (typically 10–50 mM stocks), then dilution into assay buffers with appropriate cosolvent control.
LogP/logD, pKa, refractive index: Not available; requires structure.
Practical guidance (general, not item-specific):
If the solid/liquid state is unknown, begin with a small-scale DMSO solubility test (e.g., 10 mM target). Sonication and gentle warming (≤40 °C) may assist. Avoid aqueous exposure until compatibility is verified.
For aqueous work, use serial cosolvent addition (e.g., 0.1–1% DMSO final), surfactant (0.01% Tween-20) or cyclodextrin only if compatible with the assay.
If crystallinity or precipitation is observed upon dilution, reduce concentration or increase organic content while maintaining consistent vehicle controls.
All numerical specifications, if required by your workflow, should be taken from the lot-specific CoA or Spec Sheet.
Quality and Grades
Grade/Purity: Moligand™ (as provided). Specific purity, stabilizers, and analytical limits are not listed in the product data. Not specified for this item; refer to CoA/Spec Sheet.
What Moligand™ generally implies (general guidance):
Intended for use as a small-molecule ligand or screening compound in discovery workflows (e.g., target ID, HTS, SAR triage). Typically supplied with minimal impurities suitable for biochemical/biophysical assays; however, do not assume HPLC/LC–MS specs without documentation.
Documentation: Request the lot CoA for assay purity (e.g., HPLC/UPLC % area), identity confirmation (NMR/LC–MS), and any residual solvent or water content, if critical to your application.
Practical QA/QC recommendations:
Verify identity and purity on receipt with orthogonal methods when your study is sensitivity-limited (e.g., LC–MS for mass confirmation; 1H NMR for gross purity; HRMS if exact mass is required).
Record exact mass of the vial and calculate concentration from gravimetric DMSO addition to reduce uncertainty in screening campaigns.
For photolabile/oxidation-prone chemotypes (if later disclosed), protect from light and air; consider amber vials and inert gas headspace.
Item-specific notes:
Appearance, stabilizers, water/peroxide/metal limits, UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.
Reaction and Applications
This product is positioned as a small-molecule ligand for research/screening rather than as a preparative reagent. Without a disclosed structure, detailed reaction chemistry cannot be specified.
Research applications (general for screening ligands):
Biochemical and biophysical screens: Enzymes, receptors, transporters; initial hit-finding or orthogonal confirmation.
Phenotypic assays: Cell-based readouts where chemotype is later deconvoluted.
In silico: Once structure is obtained, docking, pharmacophore modeling, and ADME property prediction.
Assay tips:
Prepare concentrated DMSO stocks, filter if necessary (PTFE, 0.22 µm for organic solutions), and avoid aqueous precipitation by gradual dilution.
Track vehicle concentration meticulously; include matched vehicle controls in every assay plate.
Where fluorescence/absorbance interference is possible, run inner-filter and auto-fluorescence controls across the anticipated concentration range.
Synthesis-oriented applications:
Not typically applicable for an unspecified screening compound. If the structure is later disclosed and contains useful handles (e.g., halides, boronates), standard cross-couplings or late-stage functionalization may be possible; consult primary data before planning chemistry.
Reaction Conditions
Detailed reaction conditions are not applicable without a defined structure or intended transformation.
General assay preparation conditions (not synthetic reactions):
Stock solutions: 10–50 mM in anhydrous DMSO. Verify clarity and absence of particulates; filter through PTFE (0.2 µm) if needed.
Working solutions: Dilute into assay buffer to achieve target concentrations with matched vehicle control (e.g., 0.5% DMSO final). Mix gently and inspect for precipitation.
Stability checks: Evaluate freeze–thaw stability over 3–5 cycles and short-term bench stability (e.g., 24–48 h at room temperature) once the structure and stability risks are known.
If future synthetic use is intended, consult primary literature after structure disclosure for temperature, solvent, catalyst, and yield guidance specific to the chemotype.
Safety and Handling
Hazard classification was not provided in the product data. Handle as a potentially hazardous research chemical.
GHS classification: Not specified for this item; refer to SDS.
Signal word / H-Statements / Pictograms: Not specified for this item; refer to SDS.
Primary PPE: Lab coat, safety glasses, and appropriate chemical-resistant gloves (e.g., nitrile). Use in a fume hood to minimize inhalation exposure.
General risks (screening ligands): Unknown toxicity and irritation potential; avoid inhalation of powders/aerosols and skin contact. Assume harmful if swallowed.
Incompatibilities: Unknown; keep away from strong oxidizers and strong acids/bases until compatibility is known. Avoid ignition sources until flammability is assessed.
First aid (overview; see SDS for authoritative guidance):
Inhalation: Move to fresh air; seek medical attention if symptoms persist.
Skin/eye contact: Rinse with water for ≥15 minutes; remove contaminated clothing; seek medical attention if irritation persists.
Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.
Spill response: Absorb with inert material (vermiculite), collect in chemical waste. Decontaminate area with suitable solvent/detergent consistent with your safety program.
Waste: Dispose of as organic laboratory chemical waste per institutional and regulatory requirements.
Always consult the lot-specific SDS before use.
Solvent Selection
Given the absence of a disclosed structure, solvent choice should follow standard practices for diverse screening compounds.
Primary stock solvent (general best practice): DMSO (anhydrous) to prepare 10–50 mM stocks. Verify solubility at a small scale before committing inventory.
Secondary solvents for difficult solubility (if assay-compatible): DMF or NMP for initial dissolution, followed by dilution into DMSO to make master stocks; then dilute into aqueous buffers keeping final organic ≤1% v/v where possible.
Aqueous dilution: Use stepwise dilution to avoid precipitation. Consider inclusion of 0.01–0.05% non-ionic surfactant (e.g., Tween-20 or Pluronic F-127) if assay allows.
Volatile solvents: Avoid ethanol, methanol, or acetonitrile as primary long-term stock solvents due to evaporation-driven concentration drift; they can be useful as co-solvents during method development.
Comparison (general):
DMSO: Excellent solvency, high boiling point, low volatility; can affect some enzyme kinetics and cell membranes—maintain strict vehicle controls.
DMF/NMP: Strong solvency; consider cytotoxicity and regulatory limits; use only for intermediate preparation.
Aqueous buffers: Final vehicle typically ≤0.5–1% DMSO to balance solubility and biological compatibility.
Document the exact solvent composition for reproducibility and data integrity.
Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
General reconstitution guidance (screening compounds):
Reconstitution solvent: Anhydrous DMSO is preferred for master stocks (10–50 mM). If difficult to dissolve, warm gently (≤40 °C) and sonicate briefly.
Aliquoting: Dispense into small-volume, airtight containers (or plate wells) to minimize freeze–thaw and headspace. Consider inert gas backfill if the chemotype is oxidation-sensitive (once known).
Light/moisture: Until photostability is known, store protected from light in dry conditions.
Freeze–thaw: If stored cold, avoid repeated cycles by aliquoting; allow to reach room temperature before opening to prevent condensation.
Stability notes:
No item-specific stability data (hydrolytic, oxidative, thermal) are provided. Not specified for this item; refer to CoA/Spec Sheet and perform pilot stability tests under intended use conditions.
Research use only.
Structure and Identity
This listing is part of a small-molecule/compound library entry. The supplier has not provided a resolved chemical structure for this specific item in the product data.
SKU: S613642
Product name: SN6 (Moligand™ grade)
CAS: S613642 (internal catalog reference; not a standard CAS Registry Number)
PubChem CID: 128904 (not confirmed for this item; verify against CoA/Spec Sheet)
InChIKey: 281082 (as provided; not a standard-length InChIKey)
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 features (general notes):
No definitive functional groups, ring systems, or stereochemical assignments are available in the provided data. Consequently, 2D/3D structural description cannot be made specific to this item.
What this means for users:
Treat this as an uncharacterized screening ligand entry pending structure disclosure. Obtain and consult the item’s certificate of analysis (CoA), spectral data, or structure file (SDF/SMILES) from the supplier prior to structural or computational work (e.g., docking, QSAR, logP prediction).
Synthetic Utility
With no disclosed structure, this item is not readily positioned as a building block or reagent for synthetic chemistry.
General notes:
If a structure becomes available and contains synthetic handles (e.g., aryl halides, boronate esters, alkenes, amines, carboxylic acids), standard transformations (cross-coupling, amide coupling, reductive amination, heteroatom alkylation, etc.) may be planned.
For library expansion or analog synthesis (SAR), ensure you have freedom-to-operate and access to starting materials.
At present, treat SN6 primarily as a screening ligand rather than a synthetic intermediate.
Target Specificity
No target specificity information is provided for this item.
Antigen/target: Not specified for this item; refer to screening data if available.
Species reactivity / selectivity: Not specified for this item; obtain from your internal assays or vendor-supplied annotations.
Use appropriate positive and negative controls in all biological evaluations to establish any apparent target engagement.
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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