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PSB-CB5

CAT: 0013-GTR19197898-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197898-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CID-85469571
CAS Number
1627710-30-8
Product Name Alternative
CID-85469571
Field of Research
Cell Biology
Purity
>98%
Bioactivity
GPR18 antagonist
Form
Powder
Solubility
Soluble in DMSO (up to 25 mg/ml)
Smiles
O=C\1N2C (=N/C1=C\C3=CC (OCC4=CC=C (Cl) C=C4) =CC=C3) SCCC2
Molecular Formula
C20H17ClN2O2S
Molecular Weight
384.88
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
(2Z) -2[[3-[ (4-Chlorophenyl) methoxy]phenyl]methylene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3 (2H) -one

Chemical Information

Psb-CB5
CAS Number1627710-30-8
PubChem CID85469571
IUPAC Name(2Z)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
Molecular FormulaC20H17ClN2O2S
Molecular Weight384.9
XLogP4.7
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity586
SMILES
C1CN2C(=O)/C(=C/C3=CC(=CC=C3)OCC4=CC=C(C=C4)Cl)/N=C2SC1
InChI
InChI=1S/C20H17ClN2O2S/c21-16-7-5-14(6-8-16)13-25-17-4-1-3-15(11-17)12-18-19(24)23-9-2-10-26-20(23)22-18/h1,3-8,11-12H,2,9-10,13H2/b18-12-
InChIKey
XJBQRMOGMULGPP-PDGQHHTCSA-N
Chemical Structure
2D Structure
2D structure of Psb-CB5
CAS: 1627710-30-8
CID: 85469571
Formula: C20H17ClN2O2S
MW: 384.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.9
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass384.0699267
Monoisotopic Mass384.0699267
Topological Polar Surface Area67.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity586
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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