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NS3694

CAT: 0607-C4468-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-C4468-25Size:25 mg
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Description
inhibits apoptosome formation and caspase activation
CAS Number
426834-38-0
Product Name Alternative
4-chloro-2-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-benzoic acid
Sequence
Apoptosis Inhibitor II
Field of Research
Apoptosis Caspase
Purity
0.9993
Form
A crystalline solid
Solubility
≥46 mg/mL in DMSO; insoluble in EtOH; insoluble in H2O
Smiles
ClC1=CC=C(C(O)=O)C(NC(NC2=CC=CC(C(F)(F)F)=C2)=O)=C1
Molecular Formula
C15H10ClF3N2O3
Molecular Weight
358.7
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Apoptosis Inhibitor II, NS3694

4-chloro-2-[[oxo-[3-(trifluoromethyl)anilino]methyl]amino]benzoic acid is a member of ureas.

CAS Number426834-38-0
PubChem CID10109069
IUPAC Name4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
Molecular FormulaC15H10ClF3N2O3
Molecular Weight358.70
XLogP4.1
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity475
SMILES
C1=CC(=CC(=C1)NC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O)C(F)(F)F
InChI
InChI=1S/C15H10ClF3N2O3/c16-9-4-5-11(13(22)23)12(7-9)21-14(24)20-10-3-1-2-8(6-10)15(17,18)19/h1-7H,(H,22,23)(H2,20,21,24)
InChIKey
GNCZTZCPXFDPLI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Apoptosis Inhibitor II, NS3694
CAS: 426834-38-0
CID: 10109069
Formula: C15H10ClF3N2O3
MW: 358.70
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.70
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass358.0332044
Monoisotopic Mass358.0332044
Topological Polar Surface Area78.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity475
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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CatalogName
sc-203823ANS3694

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