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NSC-636819

CAT: 0931-T28208-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T28208-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1618672-71-1
Target
Histone Demethylase
Related Pathways
Chromatin/Epigenetic
Purity
0.98
Bioactivity
NSC-636819 is a selective KDM4A/KDM4B inhibitor with potential anticancer activity and can be used for prostate cancer research.
Smiles
ClC(C=C1/C=C/C2=C(C=C(C(/C=C/C3=CC(Cl)=C(C=C3)Cl)=C2)[N+]([O-])=O)[N+]([O-])=O)=C(C=C1)Cl
Molecular Formula
C22H12Cl4N2O4
Molecular Weight
510.15
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,5-bis[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,4-dinitrobenzene
CAS Number1618672-71-1
PubChem CID6288112
IUPAC Name1,5-bis[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,4-dinitrobenzene
Molecular FormulaC22H12Cl4N2O4
Molecular Weight510.1
XLogP8.6
Topological Polar Surface Area91.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity668
SMILES
C1=CC(=C(C=C1/C=C/C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])/C=C/C3=CC(=C(C=C3)Cl)Cl)Cl)Cl
InChI
InChI=1S/C22H12Cl4N2O4/c23-17-7-3-13(9-19(17)25)1-5-15-11-16(22(28(31)32)12-21(15)27(29)30)6-2-14-4-8-18(24)20(26)10-14/h1-12H/b5-1+,6-2+
InChIKey
YYZPXBXVBQSBDG-IJIVKGSJSA-N
Chemical Structure
2D Structure
2D structure of 1,5-bis[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,4-dinitrobenzene
CAS: 1618672-71-1
CID: 6288112
Formula: C22H12Cl4N2O4
MW: 510.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight510.1
XLogP38.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass509.952168
Monoisotopic Mass507.955118
Topological Polar Surface Area91.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity668
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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