WAY-638796 - ≥97% , CAS No.796067-64-6

CAS: 796067-64-6 Cat. No.: W418243 Fórmula: C₁₄H₁₀ClN₃S Peso molecular: 287.76 Número EC: 980-278-6 PubChem CID: 2455016

GRADE & PURITY ≥97%

Synonyms

4-Chloro-2-(pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine | 4-chloro-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine | DTXSID101138025 | 12-chloro-10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

tyrosine kinase inhibitor; inhibiting neoplastic cell growth; phosphodiesterase V inhibitor;

Specifications

Sinónimos

4-Chloro-2-(pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine | 4-chloro-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine | DTXSID101138025 | 12-chloro-10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥97%

Propiedades del producto

ALogP

3.382

Enlace rotable

1

Nombres e identificadores

Pubchem Sid

504760746

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760746

Sonrisas canónicas

C1CC2=C(C1)SC3=C2C(=NC(=N3)C4=CN=CC=C4)Cl

IUPAC Name

12-chloro-10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene

InChIKey

XPNAVQIJQPKQIK-UHFFFAOYSA-N

INCHI

1S/C14H10ClN3S/c15-12-11-9-4-1-5-10(9)19-14(11)18-13(17-12)8-3-2-6-16-7-8/h2-3,6-7H,1,4-5H2

Isómeros SMILES

C1CC2=C(C1)SC3=C2C(=NC(=N3)C4=CN=CC=C4)Cl

PubChem CID

2455016

Peso molecular

287.76

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: Thienopyrimidines Halopyrimidines Pyridines and derivatives Aryl chlorides Thiophenes Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridinylpyrimidine - Thienopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Thiophene - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - 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: 287.800 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 287.028 Da
• Monoisotopic Mass: 287.028 Da
• Topological Polar Surface Area: 66.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 343.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% 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 796067-64-6, the molecular formula is C14H10ClN3S, and the molecular weight is 287.76 g/mol. InChIKey XPNAVQIJQPKQIK-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.