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SEH inhibitor-14

CAT: 0931-T72698-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T72698-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2890221-26-6
Target
Others, Epoxide Hydrolase
Related Pathways
Metabolism, Others
Bioactivity
SEH inhibitor-14, a benzoxazolone-5-urea analogue, acts as an efficient soluble Epoxide Hydrolase (sEH) inhibitor, demonstrating significant activity with an IC50 value of 0.39 nM.
Smiles
N(C(NCC1=C(OC(F)(F)F)C=CC=C1)=O)C=2C=C3C(=CC2)OC(=O)N3
Molecular Formula
C16H12F3N3O4
Molecular Weight
367.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

sEH inhibitor-14
CAS Number2890221-26-6
PubChem CID166642356
IUPAC Name1-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
Molecular FormulaC16H12F3N3O4
Molecular Weight367.28
XLogP2.8
Topological Polar Surface Area88.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity531
SMILES
C1=CC=C(C(=C1)CNC(=O)NC2=CC3=C(C=C2)OC(=O)N3)OC(F)(F)F
InChI
InChI=1S/C16H12F3N3O4/c17-16(18,19)26-12-4-2-1-3-9(12)8-20-14(23)21-10-5-6-13-11(7-10)22-15(24)25-13/h1-7H,8H2,(H,22,24)(H2,20,21,23)
InChIKey
IBPYKXOYNPPXBW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of sEH inhibitor-14
CAS: 2890221-26-6
CID: 166642356
Formula: C16H12F3N3O4
MW: 367.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.28
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass367.07799036
Monoisotopic Mass367.07799036
Topological Polar Surface Area88.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity531
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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