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(±) -C3001a

CAT: 0931-T71955-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T71955-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1374325-56-0
Target
Others, Potassium Channel
Related Pathways
Membrane transporter/Ion channel, Others
Purity
0.9913
Bioactivity
(±) -C3001a is the racemic mixture of C3001a (CAS: 2415154-29-7) . C3001a is a selective activator of the TREK channel within the two-pore-domain potassium channel (K2P) family. C3001a specifically binds to a cryptic site formed by P1 and TM4 in TREK-1, thereby promoting the selective regulation of TREK-1 activity. C3001a targets TREK channels in the peripheral nervous system, reducing the excitability of pain-sensing neurons.
Smiles
O=C(O)C1CCC(C(=O)NC2=CC=C(C=C2)C3=NC=4C=CC(=CC4S3)C)C1
Molecular Formula
C21H20N2O3S
Molecular Weight
380.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-((4-(6-Methylbenzo[d]thiazol-2-yl)phenyl)carbamoyl)cyclopentanecarboxylic acid
CAS Number1374325-56-0
PubChem CID56951739
IUPAC Name3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
Molecular FormulaC21H20N2O3S
Molecular Weight380.5
XLogP3.9
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity564
SMILES
CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CCC(C4)C(=O)O
InChI
InChI=1S/C21H20N2O3S/c1-12-2-9-17-18(10-12)27-20(23-17)13-5-7-16(8-6-13)22-19(24)14-3-4-15(11-14)21(25)26/h2,5-10,14-15H,3-4,11H2,1H3,(H,22,24)(H,25,26)
InChIKey
OUAZWUKQRHZQNC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-((4-(6-Methylbenzo[d]thiazol-2-yl)phenyl)carbamoyl)cyclopentanecarboxylic acid
CAS: 1374325-56-0
CID: 56951739
Formula: C21H20N2O3S
MW: 380.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.5
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass380.11946368
Monoisotopic Mass380.11946368
Topological Polar Surface Area108 Ų
Heavy Atom Count27
Formal Charge0
Complexity564
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19208932-01(±) -C3001a
HY-160789C3001a

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