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

CAS: 329906-01-6 Cat. No.: W423367 Formula: C₁₁H₁₆N₂O₃S Molecular Weight: 256.32134 PubChem CID: 2325451

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

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

Specifications

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Product Properties

ALogP

1.344

Rotatable Bond

5

Names and Identifiers

Pubchem Sid

528768114

Canonical Smiles

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

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)N2CCOCC2

PubChem CID

2325451

Molecular Weight

256.32134

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• DMSO(mM) Max Solubility: 10
• Molecular Weight: 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