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EIF4E/eIF4G Interaction Inhibitor, 4EGI-1

CAT: 0024-sc-202597Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-202597Size:10 mg
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CAS Number
315706-13-9

Chemical Information

(2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-(2-nitrophenyl)propanoic acid

4EGI-1 is a dichlorobenzene, a monocarboxylic acid, a C-nitro compound, a member of 1,3-thiazoles and a hydrazone.

CAS Number315706-13-9
PubChem CID5717952
IUPAC Name(2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-(2-nitrophenyl)propanoic acid
Molecular FormulaC18H12Cl2N4O4S
Molecular Weight451.3
XLogP6.1
Topological Polar Surface Area149
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity635
SMILES
C1=CC=C(C(=C1)C/C(=N\NC2=NC(=CS2)C3=CC(=C(C=C3)Cl)Cl)/C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C18H12Cl2N4O4S/c19-12-6-5-10(7-13(12)20)15-9-29-18(21-15)23-22-14(17(25)26)8-11-3-1-2-4-16(11)24(27)28/h1-7,9H,8H2,(H,21,23)(H,25,26)/b22-14+
InChIKey
KFRKRECSIYXARE-HYARGMPZSA-N
Chemical Structure
2D Structure
2D structure of (2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-(2-nitrophenyl)propanoic acid
CAS: 315706-13-9
CID: 5717952
Formula: C18H12Cl2N4O4S
MW: 451.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.3
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass449.9956314
Monoisotopic Mass449.9956314
Topological Polar Surface Area149 Ų
Heavy Atom Count29
Formal Charge0
Complexity635
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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