WAY-301527 - 10mM in DMSO , CAS No.315682-22-5

CAS: 315682-22-5 Cat. No.: W423276 Formula: C₁₆H₁₅N₃O₂S Peso molecolare: 313.3742 PubChem CID: 703895

QUALITÀ & PUREZZA 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Casein kinase 1d 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

3.618

Conteggio HBD

1

Legame rotabile

2

Nomi e identificatori

Sorrisi canonici

CC1=C(SC2=NC=NC(=C12)NC3=CC4=C(C=C3)OCCO4)C

IUPAC Name

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

InChIKey

LSKZPPVOPZQUOS-UHFFFAOYSA-N

INCHI

1S/C16H15N3O2S/c1-9-10(2)22-16-14(9)15(17-8-18-16)19-11-3-4-12-13(7-11)21-6-5-20-12/h3-4,7-8H,5-6H2,1-2H3,(H,17,18,19)

Isomeri SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC4=C(C=C3)OCCO4)C

PubChem CID

703895

Peso molecolare

313.3742

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzodioxanes
      • Subclass Benzo-1,4-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzodioxanes
• Subclass: Benzo-1,4-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzo-1,4-dioxanes
• Alternative Parents: Thienopyrimidines Aminopyrimidines and derivatives Alkyl aryl ethers Para dioxins Imidolactams Benzenoids Thiophenes Heteroaromatic compounds Secondary amines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzo-1,4-dioxane - Thienopyrimidine - Alkyl aryl ether - Aminopyrimidine - Para-dioxin - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Thiophene - Ether - Oxacycle - Secondary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.
• 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: 313.400 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 313.088 Da
• Monoisotopic Mass: 313.088 Da
• Topological Polar Surface Area: 84.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 400.000
• 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