WAY-603392 - 10mM in DMSO , CAS No.329906-01-6

CAS: 329906-01-6 Cat. No.: W423367 Fórmula: C₁₁H₁₆N₂O₃S Peso molecular: 256.32134 PubChem CID: 2325451

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

AKT(PKB) phosphorylation inhibitors; ion channel modulators; ion channel modulators; ion channel modulators;

Specifications

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Propiedades del producto

• ALogP: 1.344
• Enlace rotable: 5

Nombres e identificadores

• Pubchem Sid: 528768114
• Sonrisas canónicas: CCOC(=O)CC1=CSC(=N1)N2CCOCC2
• IUPAC Name: ethyl 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetate
• InChIKey: NDZOLYPESIETMS-UHFFFAOYSA-N
• INCHI: 1S/C11H16N2O3S/c1-2-16-10(14)7-9-8-17-11(12-9)13-3-5-15-6-4-13/h8H,2-7H2,1H3
• Isómeros SMILES: CCOC(=O)CC1=CSC(=N1)N2CCOCC2
• PubChem CID: 2325451
• Peso molecular: 256.32134

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: 2,4-disubstituted thiazoles Morpholines 2-amino-1,3-thiazoles Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - 2,4-disubstituted 1,3-thiazole - Morpholine - Oxazinane - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Thiazole - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
• 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: 256.320 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 256.088 Da
• Monoisotopic Mass: 256.088 Da
• Topological Polar Surface Area: 79.900 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 259.000
• 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