GW841819X - Moligand™, ≥98% , Inhibitor of bromodomain containing 2;Inhibitor of bromodomain containing 3;Inhibitor of bromodomain containing 4, CAS No.146135-18-4, Inhibitor of bromodomain containing 2;Inhibitor of bromodomain containing 3;Inhibitor of bromodomain containing 4
GW841819X - Moligand™, ≥98% , Inhibitor of bromodomain containing 2;Inhibitor of bromodomain containing 3;Inhibitor of bromodomain containing 4, CAS No.146135-18-4, Inhibitor of bromodomain containing 2;Inhibitor of bromodomain containing 3;Inhibitor of bromodomain containing 4
GRADE & PURITYMoligand™?Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.≥98%
This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
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:
Proprietà chimiche e fisiche
Peso molecolare
423.500 g/mol
XLogP3
3.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
5
Exact Mass
423.17 Da
Monoisotopic Mass
423.17 Da
Topological Polar Surface Area
81.400 Ų
Heavy Atom Count
32
Formal Charge
0
Complexity
673.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Calcolatori di soluzioni
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Recensioni
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Application Protocols
Validated application data are not provided in this listing. The following are general, non-item-specific guidelines for handling small-molecule research ligands in common assay formats.
General protocols (guidance):
Stock preparation: Dissolve compound in anhydrous DMSO to a convenient concentration (e.g., 10–50 mM), vortex, sonicate briefly if needed, and filter if particulates remain. Record exact concentration by weighing and volume tracking.
Serial dilution: Prepare intermediate DMSO dilutions to minimize precipitation upon transfer into aqueous assay buffers. Target final DMSO ≤0.1–1% v/v.
Biochemical assays: Pre-incubate compound with target as required by MOA; include vehicle controls and positive/negative controls. Use duplicate/triplicate wells and appropriate curve fitting (four-parameter logistic) for IC50/EC50.
Cellular assays: Confirm non-cytotoxic concentrations under your conditions (48–72 h) via viability counterscreen. Monitor compound carryover in downstream readouts.
Item-specific recommended concentrations, incubation times, or positive controls: Not specified for this item; optimize empirically for your system.
Biological Roles
GW841819X is offered as a research-use small molecule in the Moligand category. Specific biological targets, pathways, or mechanisms are not disclosed in this listing.
General roles for small-molecule ligands in research:
Chemical probes: Used to perturb a protein or pathway to study function in cells or lysates, enabling causal inference about signaling and regulation.
SAR exploration: Structure–activity relationship mapping through analog series to define pharmacophores and potency/efficacy tradeoffs.
Phenotypic modulation: Tools to elicit cellular phenotypes that can be profiled by transcriptomics/proteomics for target deconvolution.
Assay controls: Serve as positive or negative controls when target activity is known and validated.
Best practices:
Confirm on-target effects via orthogonal assays and, where possible, rescue experiments (e.g., overexpression/mutant insensitivity).
Control for assay interference (fluorescence quenchers, redox cyclers, aggregators) using counter-screens.
Item-specific biological target, potency (IC50/Ki/EC50), and selectivity panel data: Not specified for this item; refer to CoA/Spec Sheet or contact us for any available literature references associated with CAS 146135-18-4 or CID 13953710 (where licensing permits).
Buffer Applications
This product is a small-molecule research ligand and is not itself a buffering agent. It does not define buffer pH ranges or compositions.
Practical notes for assay buffers (general):
Prepare compound stocks in DMSO and dilute into assay buffers (e.g., HEPES, PBS) to a final DMSO content typically ≤0.1–1% v/v, confirming assay tolerance.
Maintain consistent ionic strength and pH during serial dilutions to minimize precipitation and assay drift.
Include carrier protein (e.g., 0.1% BSA) or low levels of non-ionic surfactant to improve solubility when compatible with the biology.
Item-specific buffer compatibility data: Not specified for this item; validate empirically in your assay system.
Green Alternatives
As a finished small-molecule research ligand, GW841819X is not a process solvent or bulk reagent where greener replacements are typically evaluated. Nevertheless, greener practices can be applied to its use and handling.
Opportunities for greener practice (general):
Stock solutions: Prefer aqueous-compatible formulations (e.g., minimal DMSO) when assay design allows. Reduce DMSO carryover to ≤0.1% in biological systems.
Solvent minimization: Use microscale assay formats and acoustic dispensing to reduce organic solvent consumption and waste.
Greener co-solvents: When DMSO is unsuitable, consider ethanol or water/cyclodextrin systems if compatible with your biology; verify stability and potency.
Waste management: Segregate halogenated vs non-halogenated solvent waste. Consolidate high-DMSO wastes for appropriate disposal.
Illustrative comparison (general, for dissolving small molecules):
DMSO: High solvency; widely accepted in screening; not classified as VOC; good EHS profile but can enhance dermal absorption—use PPE.
Ethanol/water systems: Greener, but limited by compound solubility; may require excipients.
Item-specific environmental data (biodegradability, aquatic toxicity): Not specified for this item; refer to SDS or request additional information if required for internal EHS review.
Pharmaceutical Uses
For research use only. This product is not an approved pharmaceutical ingredient, excipient, or therapeutic agent.
Context for formulation scientists (general, non-clinical):
Pre-formulation studies: If used as a chemical probe in nonclinical research, evaluate solubility, stability (pH/oxidative), and polymorphism where relevant.
Vehicle selection (in vivo research only where institutionally approved): Common vehicles for small molecules include PEG400, Captisol, or aqueous Tween/ethanol mixes. Ensure all use complies with institutional and regulatory guidelines. No recommendations are made for this specific item without structure/solubility data.
Regulatory status: No pharmacopeial monograph is indicated. No cGMP status is claimed.
Item-specific excipient role, dosage forms, or compendial status: Not specified for this item; refer to CoA/Spec Sheet. No claims are made regarding suitability for human or veterinary administration.
Physical Properties
Item-specific specifications are not disclosed in this listing.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Melting point: Not specified for this item; refer to CoA/Spec Sheet.
Boiling point: Not applicable/not determined (typical for non-volatile small-molecule solids; literature values may not be available without structure disclosure).
Density: Not specified for this item; refer to CoA/Spec Sheet.
Solubility: Not specified for this item; refer to CoA/Spec Sheet. General practice for screening compounds is dissolution in dry, anhydrous DMSO to prepare a concentrated stock (see Storage & Reconstitution for guidance).
LogP/logD: Not specified for this item; refer to CoA/Spec Sheet.
pKa(s): Not specified for this item; refer to CoA/Spec Sheet.
Refractive index/UV cutoff: Not applicable to solids or Not specified for this item; refer to CoA/Spec Sheet.
Notes to users (general, literature-based best practices):
Many discovery ligands are moderately lipophilic and dissolve well in DMSO; aqueous solubility may require co-solvent or dilution from DMSO stocks with surfactant or protein carrier. Determine solubility empirically for your assay matrix.
For precise physicochemical and spectroscopic data supporting QC (LC–MS, 1H/13C NMR, HPLC purity), consult the item’s CoA/Spec Sheet or request analytical documentation with your order number.
Quality and Grades
Grade/Purity: Moligand. This denotes a discovery-chemistry/screening-ligand grade intended for biochemical and cellular research. Moligand items are typically provided with identity confirmation (e.g., LC–MS/NMR) and chromatographic purity appropriate for library screening.
What Moligand implies (general guidance):
Intended use: SAR studies, target validation, chemical biology probes, and screening libraries.
Typical QC package: Identity confirmation by MS; chromatographic purity by HPLC/UPLC; additional NMR or water/content data may be available upon request. Exact tests and acceptance criteria are item-specific.
Stabilizers/salts: If present, will be declared on the CoA/Spec Sheet. None are specified in this listing.
UV background: Not specified for this item; refer to CoA/Spec Sheet if the compound will be used in optical assays where baseline absorbance/fluorescence matters.
Important:
Do not infer a specific assay purity or metal/solvent residual limits from this page. Where exact values (e.g., purity %, residual solvents, water, salts, enantiomeric ratio) are critical, request and review the current CoA/Spec Sheet for this lot.
For regulated uses: For research use only; not for human or veterinary use, clinical diagnostics, or as an API/excipient.
Reaction and Applications
Primary application domain: chemical biology and screening. GW841819X is provided as a Moligand library member; it is generally used as a tool compound or screening hit/lead rather than as a synthetic reagent.
Use cases (general for small-molecule ligands):
Target engagement studies: Thermal shift, CETSA, DARTS, or SPR/BLI to profile binding interactions and rank SAR analogs.
Biochemical assays: Enzyme activity inhibition/activation assays to establish potency and mechanism of action (MOA). Employ appropriate controls and substrate turnover windows to avoid DMSO or aggregation artifacts.
Cellular assays: Phenotypic screens or pathway readouts (e.g., reporter assays). Titrate vehicle carefully and include counterscreens for cytotoxicity and assay interference.
ADME profiling: Solubility, microsomal stability, permeability (PAMPA/MDCK), and plasma protein binding to assess developability as a probe.
Not typically suited for:
Stoichiometric reagent roles (e.g., bases, reductants, coupling partners). If derivatization is required, request structural disclosure to guide feasible chemistry.
Practical tips:
Prepare fresh DMSO stocks and minimize freeze–thaw. Filter 0.22 µm if particulate is observed. Validate assay linearity across the anticipated potency range. Confirm target specificity with orthogonal assays and, where possible, inactive analogs.
Reaction Conditions
Not typically applicable. GW841819X is provided for use as a screening/probe compound rather than as a reagent or catalyst.
For users exploring derivatization (general guidance only):
Solvent systems: Anhydrous polar aprotic solvents (e.g., DMF, DMSO, NMP, MeCN) are common for heteroaromatic couplings and amide formations, but suitability is structure dependent.
Temperatures: Mild to moderate (20–100°C) depending on transformation; microwave assistance can shorten reaction times for robust scaffolds.
Catalysts/bases: Selection depends on functional groups (e.g., Pd catalysts for cross-coupling; carbodiimides or HATU for amidation). Confirm compatibility with the specific chemotype.
Workup/purification: Mass-directed prep HPLC is recommended for libraries; avoid conditions that could cause scaffold degradation (strong acid/base, prolonged high heat) without prior stability data.
Item-specific synthetic conditions or stability windows: Not specified for this item; consult structural data and perform small-scale scouting experiments.
Safety and Handling
Safety information specific to this item is not fully specified in the current listing. Always consult the SDS supplied with the shipment for authoritative guidance.
GHS classification: Not specified for this item; refer to SDS.
Signal word / hazard statements / pictograms: Not specified for this item; refer to SDS.
General laboratory safety (good practice for small organic research compounds):
PPE: Wear lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Use in a fume hood to avoid inhalation of dust/aerosols.
Avoid ingestion, inhalation, and skin/eye contact. Wash thoroughly after handling. Do not pipette by mouth.
Storage incompatibilities: Keep separate from strong oxidizers and strong acids/bases unless compatibility is known. Protect from moisture and light as a precaution for stability of many heteroaromatic ligands.
Spill/first aid (overview): Contain solid spills with inert absorbent, avoid dust formation, and dispose as hazardous organic waste. For skin/eye contact, rinse with water for at least 15 minutes and seek medical attention as indicated by SDS.
Waste: Dispose in accordance with institutional and local regulations for organic laboratory chemicals.
Solvent Selection
This item is a discovery small molecule. Solvent choice is mainly dictated by assay format and the compound’s intrinsic solubility profile.
General recommendations (literature/practice):
Primary stock solvent: Anhydrous DMSO is the standard for small-molecule screening stocks due to broad solubilizing power and assay compatibility at ≤0.1–1% v/v final.
Alternate co-solvents: DMF, ethanol, or isopropanol can be used when DMSO is unsuitable; confirm assay tolerance. For aqueous work, dilute DMSO stocks into buffered media with gentle mixing to avoid precipitation.
Aqueous systems: If needed, increase apparent solubility by using serum-containing media, cyclodextrins, or small amounts of co-solvent and surfactant (e.g., 0.01–0.1% Tween-20), validating that these additives do not affect the biology.
Small comparison (general):
DMSO: Highest solvency; common in HTS and cell assays; can affect membrane properties at >1–2%.
DMF: Good solvency; less common in bioassays; handle with care due to toxicity.
Ethanol: Biocompatible at low %; limited solvency for very lipophilic compounds.
Item-specific solubility: Not specified for this item; refer to CoA/Spec Sheet and determine working concentrations empirically.
Storage and Reconstitution
Storage conditions (as supplied): Store at -20°C. Keep container tightly closed. Minimize exposure to ambient humidity and light during handling.
Shipping: Shipped in ice chest with ice pads to maintain a cool chain.
Reconstitution and handling (general guidance for screening compounds):
Solvent: Use anhydrous DMSO for initial stock solutions unless otherwise indicated by the CoA/Spec Sheet. Item-specific solubility is not specified; determine empirically.
Stock concentration: Choose a concentration compatible with downstream dilution (commonly 10–50 mM), balancing solubility and freeze–thaw stability.
Aliquoting: Prepare small single-use aliquots in dry, inert vials or plates to avoid repeated freeze–thaw and moisture uptake.
Storage of solutions: Store DMSO stocks at -20°C (or -80°C for long term) in sealed containers. Protect from light if the scaffold is chromophoric.
Freeze–thaw: Avoid cycles; thaw quickly at room temperature, mix, and immediately return unused aliquots to storage.
Item-specific stability, hygroscopicity, or light sensitivity: Not specified for this item; refer to CoA/Spec Sheet. Always inspect for precipitation or discoloration before use and discard if degradation is suspected.
Structure and Identity
Overview: GW841819X is supplied as a small-molecule research ligand from our Moligand library. Detailed chemical identifiers are limited in the current listing.
Product name: GW841819X (SKU: G610775)
CAS: 146135-18-4
PubChem CID: 13953710 (literature identifier)
InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
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):
Specific ring systems, functional groups, and stereochemistry are not listed for this item. Please consult the CoA/Spec Sheet or request structural disclosure if required for your application.
As a Moligand library compound, GW841819X is intended for biochemical screening and chemical biology; structural information is typically available under NDA or by reference to public databases (literature).
2D structure (verbal description):
Not specified for this item; refer to CoA/Spec Sheet. If you require a 2D depiction for internal records or ELN registration, contact us with your order number for available structure files (where licensing permits).
Synthetic Utility
GW841819X is supplied as a finished small-molecule ligand for screening and probe applications; it is not primarily intended as a synthetic building block.
General considerations if derivatization is contemplated:
Without disclosed structure, feasible transformations (e.g., amide coupling, Suzuki/Heck cross-coupling, N-alkylation, or heteroatom substitutions) cannot be recommended. Obtain the structural information and assess functional-group compatibility before planning routes.
For probe optimization (SAR), common modifications include bioisosteric replacements, heteroaryl swaps, and solubilizing side chains; use parallel synthesis with robust purification (mass-directed prep LC) and confirm identity/purity by LC–MS and NMR.
Protecting-group strategies, chiral resolution, or late-stage functionalization options are highly structure dependent; consult the CoA/Spec Sheet or literature references for CAS 146135-18-4.
Conclusion:
Treat GW841819X as a terminal probe for biological testing. If your project requires a handle for conjugation (e.g., biotin, fluorophore), inquire about available analogs or custom synthesis services based on this chemotype.
Target Specificity
No target or selectivity information is provided for this item.
Target, pathway, and MOA: Not specified for this item; refer to CoA/Spec Sheet or literature associated with CAS 146135-18-4 / CID 13953710 if available.
Selectivity profile (on/off-targets, kinome/GPCR/enzyme panels): Not specified for this item; users should generate or consult internal profiling data.
Recommendation:
Validate activity and specificity using orthogonal assays and counterscreens (e.g., assay interference, aggregation, redox activity) before drawing mechanistic conclusions.
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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