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B2

CAT: 0931-T22595-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T22595-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
115687-05-3
Target
HIF/HIF Prolyl-Hydroxylase, Sirtuin
Related Pathways
DNA Damage/DNA Repair, Metabolism, Chromatin/Epigenetic
Purity
0.9966
Bioactivity
B2 (Linazolamide intermediate B impurity 2) promotes inclusion formation in cellular models of Huntington's disease and Parkinson's disease
Smiles
[O-][N+](=O)c1ccc(N2CCN(CC2)C(=O)c2ccc(Cl)cc2)c2cccnc12
Molecular Formula
C20H17ClN4O3
Molecular Weight
396.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(4-Chlorophenyl)-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]methanone

(4-chlorophenyl)-[4-(8-nitro-5-quinolinyl)-1-piperazinyl]methanone is a N-arylpiperazine.

CAS Number115687-05-3
PubChem CID3953303
IUPAC Name(4-chlorophenyl)-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]methanone
Molecular FormulaC20H17ClN4O3
Molecular Weight396.8
XLogP3.7
Topological Polar Surface Area82.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity570
SMILES
C1CN(CCN1C2=C3C=CC=NC3=C(C=C2)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H17ClN4O3/c21-15-5-3-14(4-6-15)20(26)24-12-10-23(11-13-24)17-7-8-18(25(27)28)19-16(17)2-1-9-22-19/h1-9H,10-13H2
InChIKey
KLNPVNZJCWIQSK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Chlorophenyl)-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]methanone
CAS: 115687-05-3
CID: 3953303
Formula: C20H17ClN4O3
MW: 396.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.8
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass396.0989181
Monoisotopic Mass396.0989181
Topological Polar Surface Area82.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity570
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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