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SKI II

CAT: 0607-B2226-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B2226-25Size:25 mg
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Description
Sphingosine kinase(SK) inhibitor
CAS Number
312636-16-1
Product Name Alternative
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
Field of Research
GPCR G protein S1P receptor
Purity
0.9991
Form
A solid
Solubility
insoluble in H2O; insoluble in EtOH; ≥15.15 mg/mL in DMSO
Smiles
C1=CC(=CC=C1C2=CSC(=N2)NC3=CC=C(C=C3)O)Cl
Molecular Formula
C15H11ClN2OS
Molecular Weight
302.78
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

4-((4-(4-Chlorophenyl)-2-thiazolyl)amino)phenol

4-[[4-(4-chlorophenyl)-2-thiazolyl]amino]phenol is a substituted aniline.

CAS Number312636-16-1
PubChem CID753704
IUPAC Name4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
Molecular FormulaC15H11ClN2OS
Molecular Weight302.8
XLogP4.8
Topological Polar Surface Area73.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity304
SMILES
C1=CC(=CC=C1C2=CSC(=N2)NC3=CC=C(C=C3)O)Cl
InChI
InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)
InChIKey
ZFGXZJKLOFCECI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-((4-(4-Chlorophenyl)-2-thiazolyl)amino)phenol
CAS: 312636-16-1
CID: 753704
Formula: C15H11ClN2OS
MW: 302.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.8
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass302.0280618
Monoisotopic Mass302.0280618
Topological Polar Surface Area73.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity304
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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