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PSB-CB-27

CAT: 0013-GTR19240094-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240094-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PSB-CB-27 is a potent, selective antagonist of GPR18 with IC50 of 650 nM, shows no inhibition on GPR55 and low affinity for CB1/CB2 receptors.
CAS Number
2237222-16-9
Molecular Formula
C25H27ClN2O3S
Molecular Weight
471.012
Notes
For research use only.

Chemical Information

Psb-CB-27
CAS Number2237222-16-9
PubChem CID145953879
IUPAC Name(2Z)-2-[[3-[6-(4-chlorophenoxy)hexoxy]phenyl]methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
Molecular FormulaC25H27ClN2O3S
Molecular Weight471.0
XLogP6.3
Topological Polar Surface Area76.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity678
SMILES
C1CN2C(=O)/C(=C/C3=CC(=CC=C3)OCCCCCCOC4=CC=C(C=C4)Cl)/N=C2SC1
InChI
InChI=1S/C25H27ClN2O3S/c26-20-9-11-21(12-10-20)30-14-3-1-2-4-15-31-22-8-5-7-19(17-22)18-23-24(29)28-13-6-16-32-25(28)27-23/h5,7-12,17-18H,1-4,6,13-16H2/b23-18-
InChIKey
GUVYPTUVBVOIOM-NKFKGCMQSA-N
Chemical Structure
2D Structure
2D structure of Psb-CB-27
CAS: 2237222-16-9
CID: 145953879
Formula: C25H27ClN2O3S
MW: 471.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.0
XLogP36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass470.1430916
Monoisotopic Mass470.1430916
Topological Polar Surface Area76.4 Ų
Heavy Atom Count32
Formal Charge0
Complexity678
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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