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DC-S100

CAT: 0013-GTR19208630-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208630-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DC-S100 is a potent and selective small molecule inhibitor of the histone methyltransferase SET7 (SETD7) . It is a valuable research tool for investigating epigenetic regulation in both cellular and animal models, particularly in studies of cancer, inflammation, and metabolic diseases.
CAS Number
178803-91-3
Smiles
COC1=C (OC) C=C (NC (=O) C2=CC=C (C=C2) [N+] ([O-]) =O) C=C1
Molecular Formula
C15H14N2O5
Molecular Weight
302.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(3,4-dimethoxyphenyl)-4-nitrobenzamide
CAS Number178803-91-3
PubChem CID755751
IUPAC NameN-(3,4-dimethoxyphenyl)-4-nitrobenzamide
Molecular FormulaC15H14N2O5
Molecular Weight302.28
XLogP2.7
Topological Polar Surface Area93.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity390
SMILES
COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC
InChI
InChI=1S/C15H14N2O5/c1-21-13-8-5-11(9-14(13)22-2)16-15(18)10-3-6-12(7-4-10)17(19)20/h3-9H,1-2H3,(H,16,18)
InChIKey
QVRYMECVJRSTFI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3,4-dimethoxyphenyl)-4-nitrobenzamide
CAS: 178803-91-3
CID: 755751
Formula: C15H14N2O5
MW: 302.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.28
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass302.09027155
Monoisotopic Mass302.09027155
Topological Polar Surface Area93.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity390
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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