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NESS 0327

CAT: 0931-T22114-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T22114-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
494844-07-4
Target
Cannabinoid Receptor
Related Pathways
GPCR/G Protein
Purity
0.9978
Bioactivity
NESS 0327 is a high selectivity antagonist of the cannabinoid CB1 receptor. NESS 0327 is more than 60,000-fold selective for the CB1 receptor.
Smiles
Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Molecular Formula
C24H23Cl3N4O
Molecular Weight
489.82
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Benzo(6,7)cyclohepta(1,2-C)pyrazole-3-carboxamide, 8-chloro-1-(2,4-dichlorophenyl)-1,4,5,6-tetrahydro-N-1-piperidinyl-
CAS Number494844-07-4
PubChem CID10435654
IUPAC Name12-chloro-3-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide
Molecular FormulaC24H23Cl3N4O
Molecular Weight489.8
XLogP7
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity663
SMILES
C1CCN(CC1)NC(=O)C2=NN(C3=C2CCCC4=C3C=CC(=C4)Cl)C5=C(C=C(C=C5)Cl)Cl
InChI
InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)
InChIKey
NCXBPZJQQSNIRA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzo(6,7)cyclohepta(1,2-C)pyrazole-3-carboxamide, 8-chloro-1-(2,4-dichlorophenyl)-1,4,5,6-tetrahydro-N-1-piperidinyl-
CAS: 494844-07-4
CID: 10435654
Formula: C24H23Cl3N4O
MW: 489.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight489.8
XLogP37
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass488.093744
Monoisotopic Mass488.093744
Topological Polar Surface Area50.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity663
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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Alternative Products

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C5311-10NESS 0327
M14656-01NESS-0327
M11886NESS-040C5

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