WAY-641966 - ≥98% , CAS No.259870-32-1

CAS: 259870-32-1 Cat. No.: W418247 Fórmula: C₂₀H₁₆N₄ Peso molecular: 312.36784 PubChem CID: 2467235

GRADE & PURITY ≥98%

Synonyms

2-phenyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

anti-prion agent; preventive and therapeutic effect for diabetes and obesity; TGF-β inhibitors; TGF-β and/or p38-α kinase inhibitors; TGF-β and/or p38-α kinase inhibitors;

Specifications

Sinónimos

2-phenyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Propriedades do produto

ALogP

3.788

Contagem HBD

1

Ligação rotativa

4

Nomes e identificadores

Pubchem Sid

488192129

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192129

Sorrisos canónicos

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCC4=CC=NC=C4

IUPAC Name

2-phenyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine

InChIKey

PJZIQCMPDKJSKB-UHFFFAOYSA-N

INCHI

1S/C20H16N4/c1-2-6-16(7-3-1)19-23-18-9-5-4-8-17(18)20(24-19)22-14-15-10-12-21-13-11-15/h1-13H,14H2,(H,22,23,24)

SMILES isoméricas

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCC4=CC=NC=C4

PubChem CID

2467235

Peso molecular

312.36784

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Quinazolines
          • Level6 Quinazolinamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinazolines
• Direct Parent: Quinazolinamines
• Alternative Parents: Secondary alkylarylamines Aminopyrimidines and derivatives Pyridines and derivatives Imidolactams Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyridine - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Azacycle - Secondary amine - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
• 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

Propriedades químicas e físicas

• DMSO (mM) Solubilidade máxima: 10
• Peso molecular: 312.400 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 312.137 Da
• Monoisotopic Mass: 312.137 Da
• Topological Polar Surface Area: 50.700 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 376.000
• 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