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T0070907

CAT: 0931-T6689-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T6689-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
313516-66-4
Target
PPAR
Related Pathways
Metabolism, DNA Damage/DNA Repair
Purity
0.9998
Bioactivity
T0070907 (IC50=1 nM), an effective and specific PPARγ inhibitor, with the >800-fold selectivity over PPARα and PPARδ.
Smiles
[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccncc1
Molecular Formula
C12H8ClN3O3
Molecular Weight
277.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Chloro-5-nitro-N-4-pyridinylbenzamide

2-chloro-5-nitro-N-pyridin-4-ylbenzamide is an organohalogen compound and a carbonyl compound.

CAS Number313516-66-4
PubChem CID2777391
IUPAC Name2-chloro-5-nitro-N-pyridin-4-ylbenzamide
Molecular FormulaC12H8ClN3O3
Molecular Weight277.66
XLogP2.3
Topological Polar Surface Area87.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity342
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=NC=C2)Cl
InChI
InChI=1S/C12H8ClN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17)
InChIKey
FRPJSHKMZHWJBE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-5-nitro-N-4-pyridinylbenzamide
CAS: 313516-66-4
CID: 2777391
Formula: C12H8ClN3O3
MW: 277.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight277.66
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass277.0254188
Monoisotopic Mass277.0254188
Topological Polar Surface Area87.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity342
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

Alternative Products

CatalogName
A4301-5.1T0070907
A11588-50T0070907 50mg
HY-13202S-01T0070907-d4

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