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COR627

CAT: 0931-T23907-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T23907-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
329221-34-3
Target
GABA Receptor, Others
Related Pathways
Neuroscience, Membrane transporter/Ion channel, Others
Bioactivity
COR627 is the GABA receptor positive allosteric modulator.
Smiles
C(NC1=C(C(OC)=O)C(CC)=C(C)S1)(=O)C23CC4CC(C2)CC(C3)C4
Molecular Formula
C20H27NO3S
Molecular Weight
361.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methyl 2-(adamantanylcarbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate
CAS Number329221-34-3
PubChem CID2853642
IUPAC Namemethyl 2-(adamantane-1-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate
Molecular FormulaC20H27NO3S
Molecular Weight361.5
XLogP5.3
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity522
SMILES
CCC1=C(SC(=C1C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)C3)C
InChI
InChI=1S/C20H27NO3S/c1-4-15-11(2)25-17(16(15)18(22)24-3)21-19(23)20-8-12-5-13(9-20)7-14(6-12)10-20/h12-14H,4-10H2,1-3H3,(H,21,23)
InChIKey
NRZDWDWUMMFBOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-(adamantanylcarbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate
CAS: 329221-34-3
CID: 2853642
Formula: C20H27NO3S
MW: 361.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.5
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass361.17116490
Monoisotopic Mass361.17116490
Topological Polar Surface Area83.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity522
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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