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NESS 0327

CAT: 0013-GTR19202501-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202501-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NESS 0327 is a potent and highly selective cannabinoid CB1 receptor antagonist, exhibiting over 60,000-fold selectivity for CB1. It is a valuable research tool for investigating the endocannabinoid system in both in vitro binding assays and in vivo behavioral studies.
CAS Number
494844-07-4
Product Name Alternative
NESS 0327, NESS0327, NESS-0327, Cannabinoid Receptor, CannabinoidReceptor, CB1R
Field of Research
Pharmacology & Drug Discovery
Purity
99.74% (May vary between batches)
Solubility
DMSO:0.25 mg/mL (0.51 mM)
Smiles
Clc1ccc (c (Cl) c1) -n1nc (C (=O) NN2CCCCC2) c2CCCc3cc (Cl) ccc3-c12
Molecular Formula
C24H23Cl3N4O
Molecular Weight
489.82
Storage Conditions
-20°C
Notes
For research use only.

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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