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DHODH-IN-14

CAT: 1410-M26155-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M26155-01Size:2 mg
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Description
DHODH-IN-14 is an analog of hydroxyfuran pyrimidine A771726.
CAS Number
1364791-93-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
353.233
Molecular Formula
C15H7F4N3O3
Notes
Research use only, not for human use.
Receptor
E3 Ligase Ligand-Linker Conjugate

Chemical Information

Dhodh-IN-14
CAS Number1364791-93-4
PubChem CID57381314
IUPAC Name4-oxo-N-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1,2,5-oxadiazole-3-carboxamide
Molecular FormulaC15H7F4N3O3
Molecular Weight353.23
XLogP3.1
Topological Polar Surface Area79.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity554
SMILES
C1=CC=C(C=C1)C2=C(C(=C(C(=C2F)F)NC(=O)C3=NONC3=O)F)F
InChI
InChI=1S/C15H7F4N3O3/c16-8-7(6-4-2-1-3-5-6)9(17)11(19)12(10(8)18)20-14(23)13-15(24)22-25-21-13/h1-5H,(H,20,23)(H,22,24)
InChIKey
AMBZERWHSFYQLK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dhodh-IN-14
CAS: 1364791-93-4
CID: 57381314
Formula: C15H7F4N3O3
MW: 353.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.23
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass353.04235374
Monoisotopic Mass353.04235374
Topological Polar Surface Area79.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity554
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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