WAY-324197 - ≥95% , CAS No.1005095-06-6

CAS: 1005095-06-6 Cat. No.: W418361 Formula: C₂₁H₂₂N₂O Peso molecolare: 318.4 PubChem CID: 3153421

GRADE & PURITY ≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

Sirtuin 2 (SIRT2) Inhibitor

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Proprietà del prodotto

ALogP

3.571

Conteggio HBD

2

Legame rotabile

2

Nomi e identificatori

Pubchem Sid

508811131

Sorrisi canonici

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)

Isomeri SMILES

C1CC2CC1C3C2C4=C(C=CC(=C4)C(=O)N)NC3C5=CC=CC=C5

PubChem CID

3153421

Peso molecolare

318.4

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 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