WAY-324197 - 10mM in DMSO , CAS No.1005095-06-6

CAS: 1005095-06-6 Cat. No.: W420275 Molecular Weight: 318.4 PubChem CID: 3153421

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Sirtuin 2 (SIRT2) Inhibitor

Specifications

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Product Properties

• ALogP: 3.571
• HBD Count: 2
• Rotatable Bond: 2

Names and Identifiers

• Pubchem Sid: 528767914
• Canonical Smiles: C1CC2CC1C3C2C4=C(C=CC(=C4)C(=O)N)NC3C5=CC=CC=C5
• IUPAC Name: 10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
• InChIKey: XALTUCOIORLBHQ-UHFFFAOYSA-N
• INCHI: 1S/C21H22N2O/c22-21(24)15-8-9-17-16(11-15)18-13-6-7-14(10-13)19(18)20(23-17)12-4-2-1-3-5-12/h1-5,8-9,11,13-14,18-20,23H,6-7,10H2,(H2,22,24)
• Isomeric SMILES: C1CC2CC1C3C2C4=C(C=CC(=C4)C(=O)N)NC3C5=CC=CC=C5
• PubChem CID: 3153421
• Molecular Weight: 318.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Phenanthridines and derivatives Quinoline carboxamides Hydroquinolines Aromatic monoterpenoids Secondary alkylarylamines Aralkylamines Benzene and substituted derivatives Primary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - Benzoquinoline - Phenanthridine - Quinoline-6-carboxamide - Aromatic monoterpenoid - Tetrahydroquinoline - Monoterpenoid - Norbornane monoterpenoid - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Primary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• DMSO(mM) Max Solubility: 10
• Molecular Weight: 318.400 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 318.173 Da
• Monoisotopic Mass: 318.173 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 500.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 5
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1