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ML115

CAT: 1410-M28043-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M28043-01Size:5 mg
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Description
ML115 is a potent and selective activator of transcription 3 (STAT3), with abn EC50 of 2.0 nM, and is inactive against the related STAT1 and NFκB anti-targets.
CAS Number
912798-42-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
322.75
Molecular Formula
C15H15ClN2O4
Notes
Research use only, not for human use.
Receptor
Apoptosis|Reactive Oxygen Species

Chemical Information

N-(4-chloro-2,5-dimethoxyphenyl)-5-cyclopropyl-3-isoxazolecarboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-5-cyclopropyl-3-isoxazolecarboxamide is an aromatic amide.

CAS Number912798-42-6
PubChem CID6619100
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
Molecular FormulaC15H15ClN2O4
Molecular Weight322.74
XLogP2.7
Topological Polar Surface Area73.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity407
SMILES
COC1=CC(=C(C=C1NC(=O)C2=NOC(=C2)C3CC3)OC)Cl
InChI
InChI=1S/C15H15ClN2O4/c1-20-13-6-10(14(21-2)5-9(13)16)17-15(19)11-7-12(22-18-11)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,17,19)
InChIKey
FMWABCRYNLCXOJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-chloro-2,5-dimethoxyphenyl)-5-cyclopropyl-3-isoxazolecarboxamide
CAS: 912798-42-6
CID: 6619100
Formula: C15H15ClN2O4
MW: 322.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.74
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass322.0720347
Monoisotopic Mass322.0720347
Topological Polar Surface Area73.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity407
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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