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CB1R Allosteric modulator 4

CAT: 0931-T61371-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T61371-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2633686-53-8
Target
Cannabinoid Receptor, Others
Related Pathways
GPCR/G Protein, Others
Bioactivity
CB1R Allosteric modulator 4 is an effective and positive modulator of cannabinoid type-1 (CB1R), exhibiting significant biological activity. This compound inhibits the production of cAMP and demonstrates strong β-arrestin-2 recruitment [1].
Smiles
C(CN(=O)=O)(C1=C(NC=2C1=CC=C(C)C2)C3=CC=CC=C3)C4=NC=CS4
Molecular Formula
C20H17N3O2S
Molecular Weight
363.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CB1R Allosteric modulator 4
CAS Number2633686-53-8
PubChem CID162664090
IUPAC Name2-[1-(6-methyl-2-phenyl-1H-indol-3-yl)-2-nitroethyl]-1,3-thiazole
Molecular FormulaC20H17N3O2S
Molecular Weight363.4
XLogP4.7
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity494
SMILES
CC1=CC2=C(C=C1)C(=C(N2)C3=CC=CC=C3)C(C[N+](=O)[O-])C4=NC=CS4
InChI
InChI=1S/C20H17N3O2S/c1-13-7-8-15-17(11-13)22-19(14-5-3-2-4-6-14)18(15)16(12-23(24)25)20-21-9-10-26-20/h2-11,16,22H,12H2,1H3
InChIKey
QBUCGGZWSKCNDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CB1R Allosteric modulator 4
CAS: 2633686-53-8
CID: 162664090
Formula: C20H17N3O2S
MW: 363.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.4
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass363.10414797
Monoisotopic Mass363.10414797
Topological Polar Surface Area103 Ų
Heavy Atom Count26
Formal Charge0
Complexity494
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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