WAY-304800-A - 10mM in DMSO , CAS No.345616-08-2

CAS: 345616-08-2 Cat. No.: W423522 Formula: C₁₅H₁₃N₃O₂S Peso molecolare: 299.34762 PubChem CID: 731290

QUALITÀ & PUREZZA 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Casein kinase 1δ inhibitors

Specifiche

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

3.601

Conteggio HBD

1

Legame rotabile

2

Nomi e identificatori

Pubchem Sid

528767832

Sorrisi canonici

CC1=C(SC2=NC=NC(=C12)NC3=CC4=C(C=C3)OCO4)C

IUPAC Name

N-(1,3-benzodioxol-5-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

InChIKey

KUVGCRMUXJJCHC-UHFFFAOYSA-N

INCHI

1S/C15H13N3O2S/c1-8-9(2)21-15-13(8)14(16-6-17-15)18-10-3-4-11-12(5-10)20-7-19-11/h3-6H,7H2,1-2H3,(H,16,17,18)

Isomeri SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC4=C(C=C3)OCO4)C

PubChem CID

731290

Peso molecolare

299.34762

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: Benzodioxoles Aminopyrimidines and derivatives Imidolactams Benzenoids Thiophenes Heteroaromatic compounds Secondary amines Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodioxole - Thienopyrimidine - Aminopyrimidine - Pyrimidine - Benzenoid - Imidolactam - Thiophene - Heteroaromatic compound - Acetal - Secondary amine - Oxacycle - Azacycle - Amine - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - 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: 299.300 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 299.073 Da
• Monoisotopic Mass: 299.073 Da
• Topological Polar Surface Area: 84.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 386.000
• 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