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WAY-606551 - 10mM in DMSO, high purity , CAS No.750609-61-1
Basic Description
Specifications & Purity
10mM in DMSO
Storage Temp
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 Description
glucokinase activator; altering the lifespan of a eukaryotic organism;
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiophenes
Subclass
Thiophene carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Thiophene carboxamides
Alternative Parents
Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thiophene carboxamide - Heteroaromatic compound - Thiazole - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide.
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
2.908
HBD Count
1
Rotatable Bond
2
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
6-methyl-N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
INCHI
InChI=1S/C13H14N2OS2/c1-8-2-3-9-10(7-18-11(9)6-8)12(16)15-13-14-4-5-17-13/h4-5,7-8H,2-3,6H2,1H3,(H,14,15,16)
InChIKey
LSDTZRXQOXPXFY-UHFFFAOYSA-N
Smiles
CC1CCC2=C(C1)SC=C2C(=O)NC3=NC=CS3
Isomeric SMILES
CC1CCC2=C(C1)SC=C2C(=O)NC3=NC=CS3
PubChem CID
3616243
Molecular Weight
278.39
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
DMSO(mM) Max Solubility
10
Molecular Weight
278.400 g/mol
XLogP3
3.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
278.055 Da
Monoisotopic Mass
278.055 Da
Topological Polar Surface Area
98.500 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
326.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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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