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· · COA & SDS available for every product · Same-day shipping on in-stock items ONO-8590580 - Moligand™, ≥98% , Allosteric modulator of GABA A receptor α5 subunit, CAS No.1802661-73-9, Allosteric modulator of GABA A receptor α5 subunit
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. ≥98% Synonyms
CHEMBL4581355 | CID 118278442 | 3-(cyclopropylmethyl)-6-fluoro-7-methyl-N-[5-(1-methylimidazol-4-yl)pyridin-2-yl]benzimidazol-5-amine
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads 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.
Overview Information
ONO-8590580 is a negative allosteric modulator of GABAA α5.
Specifications Synonyms
CHEMBL4581355 | CID 118278442 | 3-(cyclopropylmethyl)-6-fluoro-7-methyl-N-[5-(1-methylimidazol-4-yl)pyridin-2-yl]benzimidazol-5-amine
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
ONO-8590580 is a negative allosteric modulator of GABAA α5.
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
ALLOSTERIC MODULATOR
Mechanism of action
Allosteric modulator of GABA A receptor α5 subunit
Names and Identifiers Canonical Smiles CC1=C(C(=CC2=C1N=CN2CC3CC3)NC4=NC=C(C=C4)C5=CN(C=N5)C)F IUPAC Name 3-(cyclopropylmethyl)-6-fluoro-7-methyl-N-[5-(1-methylimidazol-4-yl)pyridin-2-yl]benzimidazol-5-amine InChIKey INGJMHPGMVUEKY-UHFFFAOYSA-N INCHI 1S/C21H21FN6/c1-13-20(22)16(7-18-21(13)25-12-28(18)9-14-3-4-14)26-19-6-5-15(8-23-19)17-10-27(2)11-24-17/h5-8,10-12,14H,3-4,9H2,1-2H3,(H,23,26) Isomeric SMILES CC1=C(C(=CC2=C1N=CN2CC3CC3)NC4=NC=C(C=C4)C5=CN(C=N5)C)F MeSH Entry Terms 1-(cyclopropylmethyl)-5-fluoro-4-methyl-N-(5-(1-methyl-1H-imidazol-4-yl)pyridin-2-yl)-1H-benzo(d)imidazol-6-amine;ONO-8590580 Molecular Weight 376.4 Reaxy-Rn 28543005 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28543005&ln=
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 Organoheterocyclic compounds Class Benzimidazoles Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzimidazoles Alternative Parents 2-halopyridines N-substituted imidazoles Imidolactams Benzenoids Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzimidazole - 2-halopyridine - Imidolactam - Benzenoid - Pyridine - N-substituted imidazole - Heteroaromatic compound - Azole - Azacycle - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound Description 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 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) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 376.400 g/mol XLogP3 3.100 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 5 Exact Mass 376.181 Da Monoisotopic Mass 376.181 Da Topological Polar Surface Area 60.600 Ų Heavy Atom Count 28 Formal Charge 0 Complexity 545.000 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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