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GPR17 antagonist 1

CAT: 0931-T204801-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T204801-01Size:10 mg
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CAS Number
1574405-61-0
Target
Others
Related Pathways
Others
Bioactivity
GPR17 antagonist 1 (compound 978) is a GPR17 antagonist utilized for research in diabetes and obesity.
Smiles
O=C(NC1C=2NC=3C(Cl)=CC=CC3C2CCC1)C4=CC=C(OC)C(OC)=C4
Molecular Formula
C21H21ClN2O3
Molecular Weight
384.856
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3,4-dimethoxybenzamide
CAS Number1574405-61-0
PubChem CID71829149
IUPAC NameN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3,4-dimethoxybenzamide
Molecular FormulaC21H21ClN2O3
Molecular Weight384.9
XLogP4.2
Topological Polar Surface Area63.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity534
SMILES
COC1=C(C=C(C=C1)C(=O)NC2CCCC3=C2NC4=C3C=CC=C4Cl)OC
InChI
InChI=1S/C21H21ClN2O3/c1-26-17-10-9-12(11-18(17)27-2)21(25)23-16-8-4-6-14-13-5-3-7-15(22)19(13)24-20(14)16/h3,5,7,9-11,16,24H,4,6,8H2,1-2H3,(H,23,25)
InChIKey
KWIDNVMRGUQRHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3,4-dimethoxybenzamide
CAS: 1574405-61-0
CID: 71829149
Formula: C21H21ClN2O3
MW: 384.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight384.9
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass384.1240702
Monoisotopic Mass384.1240702
Topological Polar Surface Area63.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity534
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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