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IOWH-032

CAT: 1410-M10658-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M10658-01Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A novel and potent CFTR inhibitor (IC50=1.01 uM) in T84 and CHO-CFTR cell based assays for the treatment of cystic fibrosis; potentially serves as lead compound for development of new drugs for the treatment of cystic fibrosis.
CAS Number
1191252-49-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
545.1802
Molecular Formula
C22H15Br2N3O4
Notes
Research use only, not for human use.
Receptor
CFTR

Chemical Information

Iowh-032

Iowh032 has been investigated for the treatment of Cholera, Diarrhea, and Secretory Diarrhea.

CAS Number1191252-49-9
PubChem CID135565181
IUPAC Name3-(3,5-dibromo-4-hydroxyphenyl)-N-[(4-phenoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
Molecular FormulaC22H15Br2N3O4
Molecular Weight545.2
XLogP5.5
Topological Polar Surface Area97.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity575
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC(=O)C3=NC(=NO3)C4=CC(=C(C(=C4)Br)O)Br
InChI
InChI=1S/C22H15Br2N3O4/c23-17-10-14(11-18(24)19(17)28)20-26-22(31-27-20)21(29)25-12-13-6-8-16(9-7-13)30-15-4-2-1-3-5-15/h1-11,28H,12H2,(H,25,29)
InChIKey
DSFNLJXHXBIKDS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Iowh-032
CAS: 1191252-49-9
CID: 135565181
Formula: C22H15Br2N3O4
MW: 545.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight545.2
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass544.94088
Monoisotopic Mass542.94293
Topological Polar Surface Area97.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity575
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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