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 benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
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:
Calcolatori di soluzioni
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Recensioni
Recensioni dei clienti
Application Protocols
Item-specific protocols
None provided for this item.
General guidance for small-molecule assay handling (literature/general)
Stock solutions: Prepare at 10–50 mM in anhydrous DMSO. Vortex to dissolve; if needed, sonicate briefly. Filter through 0.22 µm PTFE only if particulate persists and the compound is not adsorptive.
Aliquoting: Dispense into single-use aliquots (e.g., 10–50 µL) in amber tubes or plates to minimize freeze–thaw and light exposure.
Plate handling: Equilibrate sealed plates to ambient temperature before opening to minimize condensation; use low-bind tips and plates for hydrophobic compounds.
Assay setup: Maintain consistent final DMSO (e.g., 0.5% v/v) across control and test wells. Include solvent-only controls and, where possible, a reference active for windowing.
Data quality: Monitor Z′ factor, inspect for edge effects, and include counterscreens to identify fluorescence quenching/auto-fluorescence if optical readouts are used.
These are general recommendations and not item-specific validated protocols.
Biological Roles
Item-specific facts
No biological target, pathway, or mechanism of action is specified for this item.
General considerations for coded discovery compounds (literature/general)
GSK-prefixed codes often indicate investigational small molecules evaluated in internal discovery programs. Without a disclosed mechanism, users should treat this as an uncharacterized screening tool.
Recommended approach:
Perform primary activity screens across your panel of interest.
If activity is observed, follow with orthogonal assays and counterscreens to exclude assay artifacts (e.g., redox cycling, aggregation, fluorescence interference).
Assess basic ADME-like properties (solubility across pH, stability in assay buffer, permeability surrogates) as needed.
Target deconvolution strategies may include chemoproteomics, competition binding against known ligands, or phenotypic profiling if resources allow.
Caution
Do not infer biological roles or therapeutic implications without experimental evidence. All uses are for research only, as noted by the Research Use Note.
Buffer Applications
Not typically applicable to this compound category.
Explanation
This product is a small-molecule screening ligand rather than a buffering agent. It does not have a designated buffering range or composition.
Practical note (literature/general)
When incorporating small molecules into biochemical buffers, maintain consistent co-solvent percentages (e.g., DMSO ≤0.5–1% v/v) across all wells and controls, and verify pH stability of the buffer upon addition of organic solvents.
Item-specific buffer data: Not specified for this item; refer to CoA/Spec Sheet if any formulation guidance is provided.
Green Alternatives
Context
This item is a small-molecule screening compound rather than a process solvent or bulk reagent; “green alternatives” are most relevant to solvent choices for stock preparation and assays.
Prefer water-based buffers with minimal organic co-solvent where solubility and assay biology permit.
Use DMSO sparingly (≤0.5–1% v/v final) and consider ethanol as an alternative where compatible. Avoid chlorinated solvents for routine handling.
For preparative dissolution, consider biorenewable solvents only if proven compatible with the assay (e.g., Cyrene or 2-MeTHF are generally process-focused and seldom used in biological assays).
Illustrative comparison (general)
DMSO: benchmark solubilizer; not biorenewable; good EHS profile at small assay volumes.
Ethanol: renewable routes possible; more volatile; potential protein perturbation.
Aqueous buffers: lowest environmental impact; limited by compound solubility and stability.
Operational tips
Minimize solvent volumes by using concentrated stocks and precise liquid handling.
Store and reuse aliquots to reduce waste and repeated freeze–thaw cycles.
Note: No item-specific green metrics or solvent requirements are provided for this product.
Pharmaceutical Uses
Not applicable for clinical or therapeutic use.
Context
This item is sold for research use only. No excipient role, pharmacopeial status, or manufacturing application is specified.
General information (literature/general)
If a small molecule progresses to formulation studies, typical pre-formulation steps include solid form selection (salt, polymorph), solubility profiling, and stability testing. Such data are not provided for this item and should not be assumed.
Item-specific pharmaceutical/formulation data: Not specified for this item; refer to CoA/Spec Sheet if available.
Physical Properties
Item-specific facts (from Product Data)
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Physical constants (bp, mp, density, refractive index, logP, pKa, solubility): Not specified for this item; refer to CoA/Spec Sheet.
General guidance for small-molecule screening compounds (literature/general)
Stock preparation: Many discovery compounds are supplied as solids and are commonly prepared as 10–50 mM DMSO stocks due to broad solubilizing power across chemotypes.
Aqueous solubility: Typically variable; improving apparent solubility often benefits from co-solvents (e.g., 1–5% DMSO in assay buffer) and gentle warming/sonication. Verify compatibility with your assay biology.
Hygroscopicity/polymorphism: Unspecified for this item. For solids of unknown hygroscopicity, minimize ambient exposure and cap promptly.
Stability: Unknown for this item. As a precaution, limit light exposure and repeated freeze–thaw of DMSO stocks; prepare aliquots.
Do not treat any of the above as product specifications. For exact numeric values and acceptance criteria, consult the item’s CoA/Spec Sheet.
Quality and Grades
Item-specific facts (from Product Data)
Grade/Purity: Moligand™
What this implies (general description; not a specification)
Moligand™ indicates a small-molecule ligand/tool compound offering intended for screening and discovery workflows. It is typically selected for compatibility with biochemical or cell-based assays and cheminformatics workflows.
Specific purity thresholds, analytical controls (e.g., HPLC area%, LC–MS identity, NMR), residual solvents, and elemental limits are Not specified for this item; refer to CoA/Spec Sheet.
Practical guidance for users (literature/general)
For sensitive assays, request or consult the batch CoA for identity confirmation (e.g., LC–MS, NMR) and purity details. If low UV background is necessary (e.g., HPLC detection), ask for chromatograms/UV traces.
If your application requires salt form consistency or polymorph control, verify form and counterion on the CoA before use.
For replicate biological studies, consider reserving a single batch/lot to minimize inter-batch variability.
Note: This section provides context for the Moligand™ category. It does not establish item-specific specifications.
Reaction and Applications
Item-specific note
Intended use: Research screening compound (Moligand™). No synthetic reagent role or reaction class is specified for this item.
General applications for small-molecule library members (literature/general)
Chemical biology: Probe development, target deconvolution campaigns, and preliminary SAR via analog benchmarking when related chemotypes are available.
Assay development: Positive/negative control exploration, method qualification (assay window, Z′ factor) once activity is observed.
In silico: Docking, pharmacophore modeling, and ADME property estimation once a verified structure file is obtained (consult CoA).
If using in synthetic contexts (not typical for this item)
Without structural disclosure, do not assume functional group compatibility or reactivity. If derivatization is desired, obtain full structural and analytical data, then standard reaction planning applies (protection strategies, chemoselectivity, stability under acidic/basic conditions).
Manufacturer Applications
Not specified beyond general library/screening usage; see above for expanded utility in discovery workflows.
Reaction Conditions
Not typically applicable.
Explanation
This product is not provided as a reagent for performing named reactions, and no functional groups are disclosed. Therefore, standard reaction conditions cannot be specified.
General note (literature/general)
Should the compound later be used as a substrate or starting material after structure disclosure, condition selection would follow from its functional group profile (e.g., cross-couplings in polar aprotic solvents under Pd catalysis; amide couplings using carbodiimides or HATU; etc.). Such guidance is inherently scaffold-dependent and cannot be generalized for this item.
Safety and Handling
Item-specific hazard information (from Product Data)
Signal Word: Not specified for this item; refer to SDS.
H-Statements: Not specified for this item; refer to SDS.
GHS Classification: Not specified for this item; refer to SDS.
Pictograms: Not specified for this item; refer to SDS.
General laboratory safety (literature/general)
Personal protective equipment (PPE): Use lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Handle powders or volatile solutions in a fume hood to reduce inhalation exposure.
First aid overview: In case of skin or eye contact, rinse with copious water for ≥15 minutes; seek medical attention. If inhaled, move to fresh air; if ingested, do not induce vomiting—seek immediate medical attention. Always defer to the SDS for authoritative instructions.
Handling practices: Avoid inhalation of dust/aerosols; prevent contact with skin and eyes. Use clean, dry tools for weighing. For unknown toxicity, treat as potentially harmful or irritant.
Incompatibilities: Unknown for this item. As a precaution, segregate from strong oxidizers, strong acids/bases, and reactive reducing agents until compatibility is known.
Waste: Dispose according to institutional chemical waste procedures and local regulations. Do not discharge to drains.
Always consult the product’s SDS for definitive hazard classification and response measures.
Solvent Selection
Item-specific facts (from Product Data)
No solvent recommendations are provided for this item.
General solvent strategy for screening compounds (literature/general)
Primary stock solvent: DMSO is commonly used due to its high solvating power and broad assay compatibility at ≤0.5–1.0% v/v in final assay wells. Prepare concentrated stocks (e.g., 10–50 mM) and dilute into aqueous buffers.
Alternative solvents/co-solvents: DMF or ethanol may be used where DMSO is incompatible. For poorly soluble chemotypes, small percentages of co-solvents (e.g., 0.5–5% DMSO, 0.5–2% ethanol) can improve apparent solubility.
Aqueous vehicles: Phosphate- or HEPES-buffered saline for biochemical assays; cell-based assays may require serum-containing media—confirm solvent tolerance with viability controls.
Solvent selection decision points:
Sensitivity of the assay biology to DMSO or alcohols
Compound ionization state (if known) guiding use of buffered pH to enhance solubility
Photolability/oxidation risk suggesting use of amber vials, inert atmosphere, or antioxidant-free conditions
Comparison (general)
DMSO: maximal solubilization, broad compatibility; potential to affect membrane integrity at higher %.
Ethanol: volatile, easier removal; may perturb protein stability.
DMF: strong solvent; evaluate cytotoxicity and be cautious with hygroscopicity.
Always verify solvent effects on your specific assay system.
Storage and Reconstitution
Item-specific facts (from Product Data)
Storage Conditions: Room temperature
Shipped In: Not specified for this item; refer to CoA/Spec Sheet.
General storage guidance (literature/general)
Solid form: Store tightly capped in a dry place at 20–25°C unless otherwise indicated on CoA/SDS. Protect from light until stability to light is known. Minimize exposure to ambient humidity.
DMSO stocks: Prepare fresh at 10–50 mM; dispense into single-use aliquots. Store at −20°C (or −80°C for light/air-sensitive chemotypes) in amber vials. Avoid repeated freeze–thaw.
Aqueous working solutions: Prepare immediately before use. If storage is required, keep at 2–8°C and use within a workday unless stability data support longer storage.
Reconstitution (general)
Add calculated volume of anhydrous DMSO to achieve desired concentration; vortex until fully dissolved. If incomplete dissolution occurs, brief sonication or gentle warming (≤40°C) may help. Verify clarity before use.
Note
Exact shelf life, stability, and re-test intervals are Not specified for this item; refer to CoA/Spec Sheet and SDS for authoritative guidance. All uses are for research use only.
Structure and Identity
Brief overview: This listing is for a small-molecule library member supplied under Aladdin's Moligand™ grade for research screening.
Item-specific facts (from Product Data)
SKU: G610714
Product Name: GSK312948
CAS: Not specified for this item; refer to CoA/Spec Sheet.
CID: 91827385
InChIKey: 16739 (as provided; note that typical InChIKeys are 27 characters—consult CoA/SDS for validated identifier)
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
Functional groups, ring systems, stereochemistry, and 2D scaffold description: Not specified for this item; refer to CoA/Spec Sheet.
General notes (literature/general)
Compounds bearing the GSK prefix are typically discovery-stage small molecules with proprietary or literature-referenced scaffolds, often intended for biological screening. Without a disclosed structure, any detailed structural interpretation should rely on the item’s Certificate of Analysis (CoA) or reference database entry corresponding to the provided CID.
If structure is required for cheminformatics or docking workflows, request the vendor SDF/Molfile or resolve the CID to a curated structure (subject to verification against the supplied batch CoA).
Synthetic Utility
Item-specific note
No synthetic roles, functional groups, or reactivity patterns are disclosed for this item. It is presented as a screening compound rather than a synthetic building block.
General considerations (literature/general)
If structural information is obtained and derivatization is intended (e.g., to explore SAR), standard medicinal chemistry workflows apply:
Map functional handles (halides, heteroatoms, carbonyls) for diversification via cross-coupling, N-alkylation/acylation, or amide formation.
Consider protecting-group strategies if polyfunctional.
Evaluate stability toward acids/bases and oxidants before scale-up.
For bioconjugation or target pull-down experiments, installation of linkers (e.g., amide/urea linkages or click handles) requires verified structure and compatibility with the core scaffold.
Without a disclosed structure, no specific synthetic transformations can be recommended for this item.
Target Specificity
Item-specific facts
No target class, binding partner, or selectivity profile is provided for this item.
General guidance (literature/general)
For de novo profiling, consider a tiered approach:
Primary screening against your target family (e.g., kinases, GPCRs, epigenetic enzymes) at a fixed concentration to identify activity.
Follow-up concentration–response curves and selectivity panels once activity is observed.
Counterscreens for pan-assay interference (PAINS), redox activity, and aggregation to validate specificity.
Any target claims should be based on your experimental data; the vendor provides no target-specific information for this item.
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.
