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COR659

CAT: 0931-T36520-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T36520-03Size:1 mL - 10 mM (in DMSO)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
544450-68-2
Target
Cannabinoid Receptor, GABA Receptor
Related Pathways
GPCR/G Protein, Membrane transporter/Ion channel, Neuroscience
Purity
0.9975
Bioactivity
COR659 is a 2-acylaminothiophene derivative able to suppress alcohol and chocolate self-administration in rats, likely via positive allosteric modulation of the GABAB receptor and antagonism/inverse agonism at the cannabinoid CB1 receptor.
Smiles
CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2)c1C(=O)OC
Molecular Formula
C16H16ClNO3S
Molecular Weight
337.82
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methyl 2-(4-chlorobenzamido)-4-ethyl-5-methylthiophene-3-carboxylate
CAS Number544450-68-2
PubChem CID897320
IUPAC Namemethyl 2-[(4-chlorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
Molecular FormulaC16H16ClNO3S
Molecular Weight337.8
XLogP5
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity412
SMILES
CCC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)Cl)C
InChI
InChI=1S/C16H16ClNO3S/c1-4-12-9(2)22-15(13(12)16(20)21-3)18-14(19)10-5-7-11(17)8-6-10/h5-8H,4H2,1-3H3,(H,18,19)
InChIKey
AAFLALGGEYRGTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-(4-chlorobenzamido)-4-ethyl-5-methylthiophene-3-carboxylate
CAS: 544450-68-2
CID: 897320
Formula: C16H16ClNO3S
MW: 337.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.8
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass337.0539422
Monoisotopic Mass337.0539422
Topological Polar Surface Area83.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity412
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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