WAY-640674 - 10mM in DMSO , CAS No.796079-91-9

CAS: 796079-91-9 Cat. No.: W426038 Formula: C₂₂H₁₈N₄ Peso molecolare: 338.41 PubChem CID: 2456582

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

glucocerebrosidase (GCase) modulator

Specifications

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

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

Proprietà del prodotto

ALogP

4.217

Legame rotabile

2

Nomi e identificatori

Pubchem Sid

528768341

Sorrisi canonici

C1CN(CC2=CC=CC=C21)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

IUPAC Name

4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-ylquinazoline

InChIKey

JKPCEULHIROZLA-UHFFFAOYSA-N

INCHI

1S/C22H18N4/c1-2-7-18-15-26(13-11-16(18)6-1)22-19-9-3-4-10-20(19)24-21(25-22)17-8-5-12-23-14-17/h1-10,12,14H,11,13,15H2

Isomeri SMILES

C1CN(CC2=CC=CC=C21)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

PubChem CID

2456582

Peso molecolare

338.41

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpyrimidines
• Alternative Parents: Quinazolinamines Tetrahydroisoquinolines Dialkylarylamines Aminopyrimidines and derivatives Pyridines and derivatives Imidolactams Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridinylpyrimidine - Quinazolinamine - Diazanaphthalene - Quinazoline - Tetrahydroisoquinoline - Dialkylarylamine - Aminopyrimidine - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 338.400 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 338.153 Da
• Monoisotopic Mass: 338.153 Da
• Topological Polar Surface Area: 41.900 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 469.000
• 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