Amg-0347 , CAS No.946615-43-6

CAS: 946615-43-6 Cat. No.: A1281245 Molecular Weight: 445.5

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Names and Identifiers

• Canonical Smiles: C1CCN(CC1)C2=C(C=CC(=N2)C(F)(F)F)/C=C/C(=O)NC3=CC=CC4=C3CC(CC4)O
• IUPAC Name: (E)-N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide
• InChIKey: YCDWBIUKUBHSKQ-FMIVXFBMSA-N
• INCHI: 1S/C24H26F3N3O2/c25-24(26,27)21-11-8-17(23(29-21)30-13-2-1-3-14-30)9-12-22(32)28-20-6-4-5-16-7-10-18(31)15-19(16)20/h4-6,8-9,11-12,18,31H,1-3,7,10,13-15H2,(H,28,32)/b12-9+
• Molecular Weight: 445.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: N-arylamides Dialkylarylamines Aminopyridines and derivatives Piperidines Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetralin - N-arylamide - Dialkylarylamine - Aminopyridine - Piperidine - Pyridine - Imidolactam - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Alkyl halide - Alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 445.500 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 445.198 Da
• Monoisotopic Mass: 445.198 Da
• Topological Polar Surface Area: 65.500 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 665.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1