GRADE & PURITYMoligand™?Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
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Application Protocols
Item-specific facts
No validated application protocols are provided for T‐495 in the Product Data.
General protocols for small-molecule screening (research-use)
Stock solution: prepare 10–50 mM in DMSO. Vortex and sonicate if needed; filter through 0.22 µm PTFE to remove particulates.
Biochemical assay setup: perform an 8–12 point 3-fold serial dilution. Keep final DMSO ≤0.5–1% v/v. Include no-compound and vehicle controls. Run in duplicate or triplicate.
Cell-based assay: confirm non-toxic concentration range (24–72 h viability). Dose-response across at least 7 points. Maintain constant solvent across all wells.
Interference checks: measure compound absorbance/fluorescence across assay wavelengths; include detergent (0.01–0.05% Tween 20) if aggregation is a concern.
Data quality: include Z′ factor assessment on each plate; predefine acceptance criteria and replicate thresholds. Archive raw data and metadata (solvent lot, plate map, incubation time, temperature).
Note
Adapt concentrations and buffers to your target system. For GLP/GMP or diagnostic use, separate qualification is required; this product is for research use only.
Biological Roles
Item-specific facts
No biological function, target class, or pathway association is provided for T‐495 in the Product Data.
General guidance for small-molecule library members (research use only)
Potential roles are exploratory and assay-dependent, ranging from enzyme inhibition/activation to receptor modulation or pathway perturbation in cell systems. Until a validated target and mechanism are established with orthogonal methods, consider any observed phenotype as provisional.
Early characterization: determine cytotoxicity windows (e.g., using resazurin/CellTiter assays) to set non-toxic assay concentrations. Profile basic ADME-relevant behaviors in vitro (solubility at pH 6.5–7.4, chemical stability in buffer, microsomal stability) if hits progress.
Aggregation and redox liability: screen with low-level detergent and include redox quenchers or orthogonal readouts to avoid mis-assigning nonspecific effects.
Documentation
Record plate IDs, solvent content, and time-on-plate to correlate activity with handling. Archive raw curves and replicate data.
Note
Any statements about specific biological roles would be speculative without structure and validated bioactivity data. Please refer to your experimental results and any available CoA or SDS annotations for batch-specific notes.
Buffer Applications
Not typically applicable.
T‐495 is a small-molecule library member rather than a buffering reagent. No pKa or buffering range is provided.
For assay use, choose buffers appropriate to the biological system (e.g., HEPES, PBS, Tris) and confirm compound stability and solubility at the working pH. Maintain consistent organic co-solvent content across control and test wells.
Green Alternatives
Context
No solvent, process, or reactivity is specified for T‐495. The following guidance addresses greener handling of small-molecule library compounds during dissolution and assay preparation.
Greener dissolution options (general)
Prefer ethanol or isopropanol for moderately soluble compounds when assay-compatible, as they are less toxic and more biodegradable than amide solvents. Confirm assay tolerance (often ≤0.5% v/v).
Use aqueous buffers with minimal organic co-solvent where ionization supports solubility; adjust pH within ±1 unit of the compound’s pKa if known (literature) to maximize solubility while preserving assay integrity.
Minimize DMSO concentration by preparing higher concentration master stocks and performing final dilutions just before use to reduce solvent volumes and waste.
Small comparison (general characteristics)
DMSO: high solvency, low volatility; environmental persistence moderate; widely accepted in screening.
i-PrOH: similar to ethanol with slightly improved solvency; slower evaporation.
Operational green tips
Scale stocks to anticipated assay needs to avoid disposal of expired solutions.
Consolidate solvent waste streams and label clearly to aid compliant recycling or disposal.
Use amber microtubes/plates to reduce photolysis and extend solution lifetime, reducing remake frequency.
Pharmaceutical Uses
Not applicable as a finished pharmaceutical ingredient.
This product is supplied for research use only and is not intended for human or veterinary use.
Without structural and regulatory data, no compendial status (USP/EP/JP), excipient roles, or GMP applicability can be claimed for this item.
General note for discovery workflows
If a screening hit advances, re-synthesis under defined quality systems and full characterization (identity, purity, polymorph, residual solvents, elemental impurities) will be required prior to any pre-formulation studies.
Physical Properties
Item-specific facts (from Product Data)
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Physical state: Not specified for this item; refer to CoA/Spec Sheet.
Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
Common physico-chemical parameters (not provided; obtain from CoA/SDS or literature where applicable)
Melting point / boiling point: Not specified for this item; refer to CoA/Spec Sheet.
Density: Not specified for this item; refer to CoA/Spec Sheet.
pKa, logP/logD, refractive index: Not specified for this item; refer to CoA/Spec Sheet.
Solubility: Not specified for this item; refer to CoA/Spec Sheet.
Practical guidance for unknown small molecules (general, literature-based)
Initial dissolution strategy: prepare a 10–50 mM DMSO stock; sonicate briefly and warm to 30–40 C if needed. For aqueous assays, dilute into buffer with a final DMSO concentration ≤1–2% v/v to minimize assay artifacts.
If insoluble in DMSO: evaluate DMF, NMP, ethanol, isopropanol, or PEG400 as co-solvents (screen 5–20% v/v in buffer), mindful of assay tolerance.
If basic/acidic functionality suspected: solubility can often be improved by gentle pH adjustment (acidic compounds dissolve better in basic media and vice versa). Avoid pH extremes that perturb targets or cells.
Peroxide formation/volatility cannot be assessed without structure; adopt standard precautions when concentrating organic solutions and avoid prolonged exposure to air/UV if conjugated motifs are suspected.
Quality & Grades
Item-specific facts (from Product Data)
Grade/Purity: Moligand (screening library grade)
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
What Moligand grade typically implies (general description; not a spec)
Intended use: discovery-scale research, target identification, and SAR initiation. Materials are suitable for biochemical or cell-based screening when appropriately dissolved and filtered.
Purity expectations: library compounds are commonly supplied at research purity adequate for HTS; exact purity, residual solvents, and counter-ions are batch-dependent. For this item, specific assay purity, water content, metal limits, and UV-cutoff are Not specified for this item; refer to CoA/Spec Sheet.
ID and traceability: entries are referenced by SKU and, where available, external identifiers (e.g., PubChem CID). Confirm identity by NMR/LC–MS prior to critical experiments if structure-sensitive outcomes are expected.
Stabilizers/salt forms: Not specified for this item; refer to CoA/Spec Sheet. If supplied as a salt, report concentrations as free-base/free-acid equivalents.
Best practices
Verify batch CoA for purity, residual solvent, and counter-ion before use in quantitative assays.
Perform orthogonal QC (LC–MS purity, HRMS, 1H NMR) for hits proceeding to secondary assays.
Filter assay working solutions (0.22 µm PTFE/NYLON) to reduce particulates that can cause assay interference.
Reaction & Applications
Item-specific scope
This product is positioned as a small-molecule ligand within a discovery library (Moligand). No specific synthetic reactivity or application claims are provided in the Product Data.
Discovery and screening applications (general, research-use)
Biochemical target screens: assess binding/functional modulation in enzyme or receptor assays (fluorescence polarization, SPR/BLI, radiometric, FRET, or activity assays). Titrate across 8–12 points to estimate potency.
Cell-based phenotypic screens: evaluate pathway modulation using reporter lines or imaging-based readouts; control for DMSO and cytotoxicity.
Orthogonal target deconvolution: if activity is observed, follow up with CETSA/TPP, chemoproteomics, or CRISPR perturbations to confirm mechanism.
Assay interference controls (general)
Run counter-screens to flag PAINS/REOS liabilities and redox cyclers. Incorporate detergent controls (0.01–0.05% Tween) to mitigate aggregation artifacts.
Test fluorescence/absorbance interference by inner-filter control wells across the detection wavelengths used.
Practical handling
Prepare fresh working dilutions daily; avoid freeze–thaw cycling where possible.
Record exact solvent lot, dilution scheme, and plate map for reproducibility.
Note: No item-specific mechanistic roles or named reactions can be asserted without structural information.
Reaction Conditions
Not applicable based on provided data.
No synthetic or transformation use is stated for T‐495, and no structure is provided from which to infer reaction classes or conditions.
General guidance (if derivatization is later pursued; literature-based)
Choose reaction media and temperatures compatible with the compound’s stability profile once known (thermal/oxidative/acid-base tolerance).
Employ microscale scouting reactions (10–25 mg) and LC–MS monitoring to establish feasibility before scale-up.
Use inert atmosphere and anhydrous solvents when moisture/air sensitivity is suspected; otherwise, favor greener solvents and milder conditions.
Safety & Handling
Item-specific hazards (from Product Data)
GHS classification: Not specified for this item; refer to SDS.
Signal word / H-statements / pictograms: Not specified for this item; refer to SDS.
General laboratory safety for small-molecule libraries (not product-specific; consult SDS for authoritative guidance)
PPE: lab coat, safety glasses, and disposable nitrile gloves. Use a certified chemical fume hood for weighing/dissolution to avoid inhalation of dusts or solvent vapors.
Avoid contact with skin/eyes and ingestion. Wash thoroughly after handling. Do not pipette by mouth.
Storage incompatibilities: until the functional groups are known, avoid strong oxidizers, strong acids/bases, and reducing agents. Segregate from peroxides and reactive metals. Keep away from ignition sources when using flammable solvents.
First aid (general): in case of eye/skin contact, rinse with water for 15 minutes and remove contaminated clothing. If inhaled, move to fresh air. If ingested, rinse mouth; do not induce vomiting; seek medical attention. Provide SDS to responders.
Spill response: absorb small spills with inert material (vermiculite), collect in chemical waste. For solutions, control ignition sources and ventilate.
Waste: dispose of solids/solutions as organic laboratory waste per institutional and local regulations.
Special risks: Unknown. If aromatic nitro, aldehyde, azide, or electrophilic motifs are suspected, handle on milligram scale and avoid heat and shock. Always defer to the batch SDS.
Solvent Selection
Item-specific facts (from Product Data)
No solvent preferences provided.
General strategy for solvent choice with unknown small molecules (literature-based)
Stock preparation: DMSO is the default for small-molecule libraries due to broad solvency and assay compatibility. Start at 10–50 mM.
Alternative solvents: If DMSO fails, try DMF or NMP (strong polar aprotic) for screening stocks; dilute into assay buffer to ≤0.5–1% final organic.
Semi-green options: ethanol or isopropanol can be effective for moderately polar/lipophilic compounds; monitor precipitation on aqueous dilution.
Aqueous work: For ionizable compounds, pH-adjusted buffers (HEPES, PBS) with 0.01–0.05% nonionic surfactant (e.g., Tween 20) may help maintain dispersion at low micromolar levels.
Comparison snapshot (general)
DMSO: broad solubility; most assays tolerate up to 0.5–1% v/v.
DMF/NMP: stronger solvents; greater assay interference risk; use sparingly.
Ethanol/i-PrOH: greener, volatile; limited solvency for very lipophilic chemotypes.
2-MeTHF/EtOAc: suitable for synthetic handling, not typical for bioassays.
Practical tips
Pre-wet plasticware with solvent to minimize adsorption losses for sticky compounds.
Verify solubility at working concentration by visual inspection and light scattering (600–700 nm) or nephelometry before screening.
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: Not specified for this item; refer to CoA/Spec Sheet.
General guidance
Keep container tightly closed in a dry, well-ventilated place. Protect from excessive heat, moisture, and light. If hygroscopic or photosensitive behavior is observed, store in a desiccator and/or amber vial.
After opening: record first-open date; if solid, consider storing aliquots under inert atmosphere to minimize degradation.
Reconstitution for assays (general)
Prepare a concentrated DMSO stock (e.g., 10–50 mM). If needed, warm gently (30–40 C) and sonicate briefly to aid dissolution. Filter through 0.22 µm PTFE prior to sensitive assays.
Working solutions: prepare fresh on the day of use. Avoid repeated freeze–thaw of stocks; aliquot single-use portions and store at −20 to −30 C if long-term stability in DMSO is acceptable for your application. Absent stability data, re-make stocks every 1–3 months.
Stability notes
No item-specific stability or degradation pathways are provided. Monitor by LC–MS or HPLC for critical studies. Always defer to the SDS/CoA for any batch-specific storage qualifiers.
Structure & Identity
Item-specific facts (from Product Data)
Product name: T‐495 (SKU: T614296)
Grade: Moligand
CAS: T614296 (catalog/placeholder)
PubChem CID: 124155515
InChIKey: 36037 (as provided)
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.
Interpretive notes (general)
Structural features, ring systems, functional groups, and stereochemistry cannot be described because no structural representation (SMILES/InChI with layers) or formula is provided in the Product Data. If you require exact structural details, please consult the CoA, SDS, or the PubChem entry for CID 124155515 and verify against the batch-specific certificate.
Category: Small-molecule library member (Moligand), intended for ligand discovery and screening workflows.
2D structural description (general guidance)
Without a structure, we cannot render a 2D description. For internal records, ensure the following are captured when available: heteroatom content, aromatic vs aliphatic balance, ionizable groups and pKa estimates, HBA/HBD count (for solubility/protonation planning), and any obvious structural alerts (e.g., Michael acceptors, anilides).
Synthetic Utility
Limited applicability based on available data.
T‐495 is positioned as a Moligand screening compound rather than a synthetic building block. No functional groups or reactivity handles are provided in the Product Data.
General considerations if used synthetically (non-item-specific)
Once the structure is confirmed, assess functional group compatibility for standard transformations (e.g., cross-coupling of aryl halides, amide couplings of carboxylic acids, alkylations of amines). Protecting-group needs, oxidation level, and chemoselectivity should be planned accordingly.
If derivatization for SAR is intended, map potential vectors (solvent-exposed substituents) by docking or crystal data when available, and prioritize robust disconnections that enable parallel synthesis.
Note
No claims about specific named reactions, catalysts, or yields can be made for this item without structural information.
Target Specificity
Item-specific facts
No target, pathway, or binding partner is provided for T‐495 in the Product Data.
General guidance for establishing specificity (research-use)
Use orthogonal biophysical methods (SPR/BLI, ITC, DSF) to corroborate enzyme/receptor assay results.
Test against related isoforms or receptor subtypes to establish selectivity profiles.
Include counterscreens for frequent hitters (redox enzymes, promiscuous hydrolases) and assess aggregation by detergent sensitivity and dynamic light scattering.
Note
Any specific antigen/epitope/clone/isotype data are not applicable; this product is a small molecule, not an antibody or protein reagent.
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 T614296. InChIKey BWJHJLINOYAPEG-HOTGVXAUSA-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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Products are supplied to verified businesses, institutions, and qualified professionals for research and development use only. Not for use in humans, animals, diagnosis, or therapy.
