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WAY-328162 - 10mM in DMSO, high purity , CAS No.909090-72-8
Basic Description
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
modulating CFTR activity; restore E-cadherin expression in the SW620 colon adenocarcinoma cell line; altering the lifespan of a eukaryotic organism;
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Carboxylic acid derivatives
Intermediate Tree Nodes
Carboxylic acid amides
Direct Parent
2-heteroaryl carboxamides
Alternative Parents
Chlorobenzenes Morpholines Aryl chlorides Isoxazoles Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-heteroaryl carboxamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxazinane - Morpholine - Azole - Heteroaromatic compound - Isoxazole - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Oxacycle - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide 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.
Product Properties
ALogP
2.283
HBD Count
1
Rotatable Bond
6
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
5-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
INCHI
InChI=1S/C17H20ClN3O3/c18-14-4-2-13(3-5-14)16-12-15(20-24-16)17(22)19-6-1-7-21-8-10-23-11-9-21/h2-5,12H,1,6-11H2,(H,19,22)
InChIKey
XVGUZRIEHILSQK-UHFFFAOYSA-N
Smiles
C1COCCN1CCCNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl
Isomeric SMILES
C1COCCN1CCCNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl
PubChem CID
3242520
Molecular Weight
349.81
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
DMSO(mM) Max Solubility
10
Molecular Weight
349.800 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
6
Exact Mass
349.119 Da
Monoisotopic Mass
349.119 Da
Topological Polar Surface Area
67.600 Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
399.000
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
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