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ES 936

CAT: 0013-GTR19201304Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201304Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ES 936 is a potent and selective NQO1 inhibitor, achieving >95% enzyme inhibition at 100 nM within 30 minutes. Its cell line-dependent activity duration can induce limited DNA strand breaks, making it a valuable research tool for studying NQO1 function in cancer biology and oxidative stress response in vitro.
CAS Number
192820-78-3
Product Name Alternative
ES 936, ES936, ES-936
Field of Research
Metabolism Research, Signal Transduction
Solubility
DMSO:1 mg/mL (2.81 mM)
Smiles
O=C1C=C (OC) C (=O) C2=C1N (C (=C2COC3=CC=C (C=C3) N (=O) =O) C) C
Molecular Formula
C18H16N2O6
Molecular Weight
356.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Methoxy-1,2-dimethyl-3-((4-nitrophenoxy)methyl)indole-4,7-dione

structure in first source

CAS Number192820-78-3
PubChem CID4470790
IUPAC Name5-methoxy-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]indole-4,7-dione
Molecular FormulaC18H16N2O6
Molecular Weight356.3
XLogP2.4
Topological Polar Surface Area103
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity620
SMILES
CC1=C(C2=C(N1C)C(=O)C=C(C2=O)OC)COC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H16N2O6/c1-10-13(9-26-12-6-4-11(5-7-12)20(23)24)16-17(19(10)2)14(21)8-15(25-3)18(16)22/h4-8H,9H2,1-3H3
InChIKey
IBLWSLZYYZHSRG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methoxy-1,2-dimethyl-3-((4-nitrophenoxy)methyl)indole-4,7-dione
CAS: 192820-78-3
CID: 4470790
Formula: C18H16N2O6
MW: 356.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.3
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass356.10083623
Monoisotopic Mass356.10083623
Topological Polar Surface Area103 Ų
Heavy Atom Count26
Formal Charge0
Complexity620
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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