WAY-385995 - 10mM in DMSO , CAS No.6484-31-7

CAS: 6484-31-7 Cat. No.: W425286 Fórmula: C₁₃H₁₁N₅ Peso molecular: 237.264 PubChem CID: 699496

GRADE & PURITY 10mM in DMSO

Synonyms

4-hydrazinyl-2-(pyridin-4-yl)quinazoline|6484-31-7|DTXSID901279782|AKOS001049055|WAY-385995|4-Hydrazinyl-2-(4-pyridinyl)quinazoline|SR-01000213298|SR-01000213298-1|Z56877083

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

protease inhibitors

Specifications

Sinónimos

4-hydrazinyl-2-(pyridin-4-yl)quinazoline | 6484-31-7 | DTXSID901279782 | AKOS001049055 | WAY-385995 | 4-Hydrazinyl-2-(4-pyridinyl)quinazoline | SR-01000213298 | SR-01000213298-1 | Z56877083

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Propiedades del producto

ALogP

1.672

Recuento HBD

2

Enlace rotable

2

Nombres e identificadores

Pubchem Sid

528768089

Sonrisas canónicas

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=NC=C3)NN

IUPAC Name

(2-pyridin-4-ylquinazolin-4-yl)hydrazine

InChIKey

GBXZZNQQYDOFFU-UHFFFAOYSA-N

INCHI

1S/C13H11N5/c14-18-13-10-3-1-2-4-11(10)16-12(17-13)9-5-7-15-8-6-9/h1-8H,14H2,(H,16,17,18)

Isómeros SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=NC=C3)NN

PubChem CID

699496

Peso molecular

237.264

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpyrimidines
• Alternative Parents: Quinazolinamines Pyridines and derivatives Imidolactams Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Hydrazines and derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridinylpyrimidine - Quinazolinamine - Diazanaphthalene - Quinazoline - Imidolactam - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Hydrazine derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond.
• 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

Propiedades químicas y físicas

• DMSO (mM) Solubilidad máxima: 10
• Peso molecular: 237.260 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 237.101 Da
• Monoisotopic Mass: 237.101 Da
• Topological Polar Surface Area: 76.700 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 266.000
• 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