CB1R antagonist 1

CAT: 0931-T61989-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T61989-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

334668-69-8

Target

Cannabinoid Receptor

Related Pathways

GPCR/G Protein

Purity

0.9965

Bioactivity

CB1R antagonist 1 is a potent CB1R antagonist that can be used to study diseases related to the nervous system.

Smiles

S(=O)(=O)(C1=CC(C(F)(F)F)=CC=C1)N2CCN(C(=O)C3CCCCC3)CC2

Molecular Formula

C18H23F3N2O3S

Molecular Weight

404.45

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

CB1R antagonist 1

CAS Number	334668-69-8
PubChem CID	2729560
IUPAC Name	cyclohexyl-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
Molecular Formula	C18H23F3N2O3S
Molecular Weight	404.4
XLogP	3.3
Topological Polar Surface Area	66.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	27
Formal Charge	0
Complexity	619

SMILES

C1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H23F3N2O3S/c19-18(20,21)15-7-4-8-16(13-15)27(25,26)23-11-9-22(10-12-23)17(24)14-5-2-1-3-6-14/h4,7-8,13-14H,1-3,5-6,9-12H2

InChIKey

CRXJBISLCDTJDM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 334668-69-8

CID: 2729560

Formula: C18H23F3N2O3S

MW: 404.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	404.4
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	404.13814826
Monoisotopic Mass	404.13814826
Topological Polar Surface Area	66.1 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	619
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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GTR19187301-01	CB1R antagonist 1
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GTR19275132-01	PROTAC CB1R Degrader-1
HY-147558	CB1R Allosteric modulator 1
GTR19187280-01	CB1R Allosteric modulator 2
GTR19257674-01	CB1R Allosteric modulator 5
MBS5821310	CB1R/AMPK modulator 1

CB1R antagonist 1

Chemical Information

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