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Epacadostat (INCB024360) analogue

CAT: 1568-C12799-100mgSize: 100 mgDry Ice: YesHazardous: No
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CAT#:1568-C12799-100mgSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
914471-09-3
Synonyms
INCB14943
Target
IDO/TDO
Applications
Metabolism
Smiles
C1=CC (=C (C=C1N=C (C2=NON=C2N) NO) Cl) F
Molecular Formula
C9H7ClFN5O2
Additionnal Information
Epacadostat (INCB024360) analogue (INCB14943) is a potent, competitive IDO1 (indoleamine- (2,3) -dioxygenase) inhibitor with IC50 of 67 nM.
Storage Conditions
2 years -80 in solvent

Chemical Information

4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide
CAS Number914471-09-3
PubChem CID135424953
IUPAC Name4-amino-N'-(3-chloro-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
Molecular FormulaC9H7ClFN5O2
Molecular Weight271.63
XLogP1.6
Topological Polar Surface Area110
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity321
SMILES
C1=CC(=C(C=C1N=C(C2=NON=C2N)NO)Cl)F
InChI
InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
InChIKey
HGXSLPIXNPASGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide
CAS: 914471-09-3
CID: 135424953
Formula: C9H7ClFN5O2
MW: 271.63
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight271.63
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass271.0272303
Monoisotopic Mass271.0272303
Topological Polar Surface Area110 Ų
Heavy Atom Count18
Formal Charge0
Complexity321
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