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· · COA & SDS available for every product · Same-day shipping on in-stock items A-794282 - Moligand™, ≥98% , Allosteric modulator of mGlu 1 receptor, CAS No.869802-44-8, Allosteric modulator of mGlu 1 receptor
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
13-(Dimethylamino)-5-(4-ethylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one | 13-(dimethylamino)-5-(4-ethylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one | CHEMBL385336
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
A-794282 is a selective antagonist of mGluR1.
Specifications Synonyms
13-(Dimethylamino)-5-(4-ethylphenyl)-8-thia-3, 5, 10-triazatricyclo[7.4.0.02, 7]trideca-1(13), 2(7), 3, 9, 11-pentaen-6-one | 13-(dimethylamino)-5-(4-ethylphenyl)-8-thia-3, 5, 10-triazatricyclo[7.4.0.0^{2, 7}]trideca-1(13), 2(7), 3, 9, 11-pentaen-6-one | CHEMBL385336
Specifications & Purity
Moligand™, ≥98%
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 mGlu 1 receptor
Names and Identifiers Canonical Smiles CCc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(ccn1)N(C)C IUPAC Name 13-(dimethylamino)-5-(4-ethylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one InChIKey VCUKKMIXURRDKL-UHFFFAOYSA-N INCHI 1S/C19H18N4OS/c1-4-12-5-7-13(8-6-12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3 Isomeric SMILES CCC1=CC=C(C=C1)N2C=NC3=C(C2=O)SC4=NC=CC(=C34)N(C)C PubChem CID 11530404 Molecular Weight 350.44
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 Thienopyrimidines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Thienopyrimidines Alternative Parents Thienopyridines Dialkylarylamines Pyrimidones Aminopyridines and derivatives Benzene and substituted derivatives Thiophenes Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Thienopyrimidine - Thienopyridine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyridine - Pyrimidone - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Lactam - Tertiary amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. 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 350.400 g/mol XLogP3 4.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 3 Exact Mass 350.12 Da Monoisotopic Mass 350.12 Da Topological Polar Surface Area 77.000 Ų Heavy Atom Count 25 Formal Charge 0 Complexity 532.000 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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