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· · COA & SDS available for every product · Same-day shipping on in-stock items VPC171 - Moligand™ , Allosteric modulator of A 1 receptor, CAS No.V614778, Allosteric modulator of A 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.
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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™
Action Type
ALLOSTERIC MODULATOR
Mechanism of action
Allosteric modulator of A 1 receptor
Names and Identifiers Canonical Smiles Nc1scc(c1C(=O)c1ccccc1)c1cccc(c1)C(F)(F)F IUPAC Name [2-amino-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone InChIKey HNHLVOBHWXLIGP-UHFFFAOYSA-N INCHI 1S/C18H12F3NOS/c19-18(20,21)13-8-4-7-12(9-13)14-10-24-17(22)15(14)16(23)11-5-2-1-3-6-11/h1-10H,22H2 Isomeric SMILES C1=CC=C(C=C1)C(=O)C2=C(SC=C2C3=CC(=CC=C3)C(F)(F)F)N PubChem CID 24873485
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 Organic oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Aryl-phenylketones Alternative Parents 2-amino-3-benzoylthiophenes Trifluoromethylbenzenes Thiophene carboxylic acids and derivatives Benzoyl derivatives 2-aminothiophenes Vinylogous amides Heteroaromatic compounds Primary amines Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic heteromonocyclic compounds Substituents Aryl-phenylketone - 2-amino-3-benzoylthiophene - 3-aroylthiophene - Trifluoromethylbenzene - Benzoyl - Thiophene carboxylic acid or derivatives - Monocyclic benzene moiety - 2-aminothiophene - Benzenoid - Thiophene - Heteroaromatic compound - Vinylogous amide - Organoheterocyclic compound - Alkyl fluoride - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic nitrogen compound - Alkyl halide - Amine - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. 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 347.400 g/mol XLogP3 5.700 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 3 Exact Mass 347.059 Da Monoisotopic Mass 347.059 Da Topological Polar Surface Area 71.300 Ų Heavy Atom Count 24 Formal Charge 0 Complexity 450.000 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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