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

CAS: 259870-32-1 Cat. No.: W418247 Summenformel: C₂₀H₁₆N₄ Molekulargewicht: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Produkteigenschaften

• ALogP: 3.788
• HBD-Zahl: 1
• Rotationsfähige Bindung: 4

Namen und Kennungen

• Pubchem Sid: 488192129
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192129
• Kanonisches Lächeln: 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)
• Isomere SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCC4=CC=NC=C4
• PubChem CID: 2467235
• Molekulargewicht: 312.36784

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazanaphthalenes
      • Subclass Benzodiazines
        • Ebene5 Quinazolines
          • Ebene6 Quinazolinamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 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