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SEC inhibitor KL-1

CAT: 1410-M24926-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M24926-01Size:2 mg
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Description
SEC inhibitor KL-1 exhibits a dose-dependent inhibitory effect on AFF4-CCNT1 interaction (Ki: 3.48 μM) .
CAS Number
900308-84-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
345.78
Molecular Formula
C18H16ClNO4
Notes
Research use only, not for human use.
Receptor
SEC

Chemical Information

(2E)-N-(5-chloro-2-methylphenyl)-2-hydroxy-4-(3-methoxyphenyl)-4-oxobut-2-enamide
CAS Number900308-84-1
PubChem CID75186111
IUPAC NameN-(5-chloro-2-methylphenyl)-4-hydroxy-4-(3-methoxyphenyl)-2-oxobut-3-enamide
Molecular FormulaC18H16ClNO4
Molecular Weight345.8
XLogP4
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity493
SMILES
CC1=C(C=C(C=C1)Cl)NC(=O)C(=O)C=C(C2=CC(=CC=C2)OC)O
InChI
InChI=1S/C18H16ClNO4/c1-11-6-7-13(19)9-15(11)20-18(23)17(22)10-16(21)12-4-3-5-14(8-12)24-2/h3-10,21H,1-2H3,(H,20,23)
InChIKey
ARTVILCEXNCVIN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2E)-N-(5-chloro-2-methylphenyl)-2-hydroxy-4-(3-methoxyphenyl)-4-oxobut-2-enamide
CAS: 900308-84-1
CID: 75186111
Formula: C18H16ClNO4
MW: 345.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight345.8
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass345.0767857
Monoisotopic Mass345.0767857
Topological Polar Surface Area75.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity493
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes