WAY-640674 - ≥98% , CAS No.796079-91-9

CAS: 796079-91-9 Cat. No.: W417850 Summenformel: C₂₂H₁₈N₄ Molekulargewicht: 338.41 PubChem CID: 2456582

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

glucocerebrosidase (GCase) modulator

Specifications

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: 4.217
• Rotationsfähige Bindung: 2

Namen und Kennungen

• Pubchem Sid: 488192123
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192123
• Kanonisches Lächeln: 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
• Isomere SMILES: C1CN(CC2=CC=CC=C21)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5
• PubChem CID: 2456582
• Molekulargewicht: 338.41

Taxonomic Classification

Taxonomy Tree

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

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 796079-91-9, the molecular formula is C22H18N4, and the molecular weight is 338.41 g/mol. InChIKey JKPCEULHIROZLA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.