WAY-350471 - ≥98% , CAS No.785705-53-5

CAS: 785705-53-5 Cat. No.: W418460 Formula: C₁₄H₁₈N₄OS Peso molecolare: 290.38392 PubChem CID: 2091326

QUALITÀ & PUREZZA ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

IRAK inhibitors

Specifiche

Specifiche e purezza

≥98%

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

≥98%

Proprietà del prodotto

ALogP

1.919

Conteggio HBD

1

Legame rotabile

2

Nomi e identificatori

Pubchem Sid

488192064

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192064

Sorrisi canonici

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)N)C

IUPAC Name

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

InChIKey

KOMCJGHOPXNACW-UHFFFAOYSA-N

INCHI

1S/C14H18N4OS/c1-8-9(2)20-14-11(8)13(16-7-17-14)18-5-3-10(4-6-18)12(15)19/h7,10H,3-6H2,1-2H3,(H2,15,19)

Isomeri SMILES

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)N)C

PubChem CID

2091326

Peso molecolare

290.38392

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Thienopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Thienopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienopyrimidines
• Alternative Parents: Piperidinecarboxamides Dialkylarylamines Aminopyrimidines and derivatives Imidolactams Thiophenes Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Piperidinecarboxamide - Thienopyrimidine - Dialkylarylamine - Aminopyrimidine - Piperidine - Pyrimidine - Imidolactam - Thiophene - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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: 290.390 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 290.12 Da
• Monoisotopic Mass: 290.12 Da
• Topological Polar Surface Area: 100.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 372.000
• 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