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· · COA & SDS available for every product · Same-day shipping on in-stock items CGI560 - Moligand™ , Inhibitor of Bruton tyrosine kinase, CAS No.C608495, Inhibitor of Bruton tyrosine kinase
GRADE & PURITY Moligand™ ? 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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Why this grade Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Specifications & Purity
Moligand™
Mechanism of action
Inhibitor of Bruton tyrosine kinase
Names and Identifiers Canonical Smiles O=C(c1ccc(cc1)C(C)(C)C)Nc1cccc(c1)c1nc(Nc2ccccc2)c2n(c1)ccn2 InChIKey IJMHHZDBRUGXNO-UHFFFAOYSA-N INCHI 1S/C29H27N5O/c1-29(2,3)22-14-12-20(13-15-22)28(35)32-24-11-7-8-21(18-24)25-19-34-17-16-30-27(34)26(33-25)31-23-9-5-4-6-10-23/h4-19H,1-3H3,(H,31,33)(H,32,35) Isomeric SMILES CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=CN4C=CN=C4C(=N3)NC5=CC=CC=C5 PubChem CID 11397050
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Anilides Intermediate Tree Nodes Aromatic anilides Direct Parent Benzanilides Alternative Parents Benzamides Imidazopyrazines Phenylpropanes Benzoyl derivatives Aniline and substituted anilines Aminopyrazines N-substituted imidazoles Imidolactams Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Secondary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzanilide - Benzamide - Benzoic acid or derivatives - Phenylpropane - Imidazopyrazine - Benzoyl - Aniline or substituted anilines - Aminopyrazine - Imidolactam - Pyrazine - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound Description 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 Data sources 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.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 461.600 g/mol XLogP3 6.700 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 6 Exact Mass 461.222 Da Monoisotopic Mass 461.222 Da Topological Polar Surface Area 71.300 Ų Heavy Atom Count 35 Formal Charge 0 Complexity 694.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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