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IA65

CAT: 0013-GTR19242245-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242245-02Size:5 mg
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Description
IA65 is a potent and selective small molecule agonist of the Orai1 calcium channel. It is widely used in research to study store-operated calcium entry (SOCE) in cellular and physiological processes, with applications in both in vitro assays and in vivo models of immune function and related diseases.
CAS Number
255833-41-1
Purity
99.27% (May vary between batches)
Smiles
O=C (O) C1=CC=C (C=C1) NC2=NC (=C (S2) C=3C=CC=CC3) C (F) (F) F
Molecular Formula
C17H11F3N2O2S
Molecular Weight
364.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-{[5-Phenyl-4-(trifluoromethyl)-1,3-thiazol-2-YL]amino}benzoic acid
CAS Number255833-41-1
PubChem CID3316169
IUPAC Name4-[[5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]benzoic acid
Molecular FormulaC17H11F3N2O2S
Molecular Weight364.3
XLogP4.9
Topological Polar Surface Area90.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity463
SMILES
C1=CC=C(C=C1)C2=C(N=C(S2)NC3=CC=C(C=C3)C(=O)O)C(F)(F)F
InChI
InChI=1S/C17H11F3N2O2S/c18-17(19,20)14-13(10-4-2-1-3-5-10)25-16(22-14)21-12-8-6-11(7-9-12)15(23)24/h1-9H,(H,21,22)(H,23,24)
InChIKey
YXUNGLGGMUMCOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-{[5-Phenyl-4-(trifluoromethyl)-1,3-thiazol-2-YL]amino}benzoic acid
CAS: 255833-41-1
CID: 3316169
Formula: C17H11F3N2O2S
MW: 364.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.3
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass364.04933326
Monoisotopic Mass364.04933326
Topological Polar Surface Area90.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity463
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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