WAY-388756 - ≥95% , CAS No.243669-62-7

CAS: 243669-62-7 Cat. No.: W418471 Formula: C₁₁H₇ClN₂S₂ Peso molecolare: 266.8 Numero EC: 997-223-7 PubChem CID: 2446573

GRADE & PURITY ≥95%

Synonyms

4-Chloro-2-methyl-5-(thiophen-2-yl)thieno[2,3-d]pyrimidine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

IKKb inhibitors

Specifications

Sinonimi

4-Chloro-2-methyl-5-(thiophen-2-yl)thieno[2,3-d]pyrimidine

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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

Purezza

≥95%

Proprietà del prodotto

ALogP

3.413

Legame rotabile

1

Nomi e identificatori

Pubchem Sid

488192121

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192121

Sorrisi canonici

CC1=NC2=C(C(=CS2)C3=CC=CS3)C(=N1)Cl

IUPAC Name

4-chloro-2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine

InChIKey

ZUAGGEDCVROTRG-UHFFFAOYSA-N

INCHI

1S/C11H7ClN2S2/c1-6-13-10(12)9-7(5-16-11(9)14-6)8-3-2-4-15-8/h2-5H,1H3

Isomeri SMILES

CC1=NC2=C(C(=CS2)C3=CC=CS3)C(=N1)Cl

PubChem CID

2446573

Peso molecolare

266.8

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Bi- and oligothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Bi- and oligothiophenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Bi- and oligothiophenes
• Alternative Parents: Thienopyrimidines Halopyrimidines Aryl chlorides Thiophenes Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Bithiophene - Thienopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - Thiophene - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as bi- and oligothiophenes. These are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms.
• 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

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 266.800 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 265.974 Da
• Monoisotopic Mass: 265.974 Da
• Topological Polar Surface Area: 82.300 Ų
• Heavy Atom Count: 16
• 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