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TCS PrP Inhibitor 13

CAT: 0931-T23450-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T23450-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
34320-83-7
Target
Apoptosis, Others
Related Pathways
Others, Apoptosis
Purity
0.997
Bioactivity
TCS PrP Inhibitor 13 (5- (4-Nitrophenyl) -2-Phenyl-4H-Pyrazol-3-One) is an antiprion agent inhibiting protease-resistant prion protein (PrP-res) accumulation.
Smiles
[O-][N+](=O)c1ccc(cc1)C1=NN(C(=O)C1)c1ccccc1
Molecular Formula
C15H11N3O3
Molecular Weight
281.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

ST51035799
CAS Number34320-83-7
PubChem CID2750328
IUPAC Name5-(4-nitrophenyl)-2-phenyl-4H-pyrazol-3-one
Molecular FormulaC15H11N3O3
Molecular Weight281.27
XLogP2.8
Topological Polar Surface Area78.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity444
SMILES
C1C(=NN(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H11N3O3/c19-15-10-14(11-6-8-13(9-7-11)18(20)21)16-17(15)12-4-2-1-3-5-12/h1-9H,10H2
InChIKey
FDAVFKZPGQEGDX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ST51035799
CAS: 34320-83-7
CID: 2750328
Formula: C15H11N3O3
MW: 281.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.27
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass281.08004122
Monoisotopic Mass281.08004122
Topological Polar Surface Area78.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity444
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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