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COR628

CAT: 0931-T23908-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T23908-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
550310-04-8
Target
Others, GABA Receptor
Related Pathways
Membrane transporter/Ion channel, Others, Neuroscience
Bioactivity
COR628 is the GABA (B) receptor positive allosteric modulator.
Smiles
C(OC)(=O)C1=C(NC(=O)C2CCCCC2)SC(C)=C1CC
Molecular Formula
C16H23NO3S
Molecular Weight
309.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methyl 2-(cyclohexanecarbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate
CAS Number550310-04-8
PubChem CID5046901
IUPAC Namemethyl 2-(cyclohexanecarbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate
Molecular FormulaC16H23NO3S
Molecular Weight309.4
XLogP4.8
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity382
SMILES
CCC1=C(SC(=C1C(=O)OC)NC(=O)C2CCCCC2)C
InChI
InChI=1S/C16H23NO3S/c1-4-12-10(2)21-15(13(12)16(19)20-3)17-14(18)11-8-6-5-7-9-11/h11H,4-9H2,1-3H3,(H,17,18)
InChIKey
CXXTWRDDIQIUKA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-(cyclohexanecarbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate
CAS: 550310-04-8
CID: 5046901
Formula: C16H23NO3S
MW: 309.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.4
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass309.13986477
Monoisotopic Mass309.13986477
Topological Polar Surface Area83.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity382
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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CatalogName
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