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· · COA & SDS available for every product · Same-day shipping on in-stock items B2 - ≥98%(HPLC) , CAS No.115687-05-3
Synonyms
NCGC00186018-01 | E77878 | Tox21_500619 | CPNQ, >=98% (HPLC), solid | CPNQ | BS-52744 | AKOS000424462 | SDCCGSBI-0046858.P002 | CHEBI:125473 | B2 | Oprea1_532455 | Q27216092 | (4-chlorophenyl)(4-(8-nitroquinolin-5-yl)piperazin-1-yl)methanone | CBMicro_046
Storage
Protected from light,Store at -20°C
Shipped In
Ice chest + Ice pads
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Why this grade ≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Protected from light,Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
NCGC00186018-01 | E77878 | Tox21_500619 | CPNQ, >=98% (HPLC), solid | CPNQ | BS-52744 | AKOS000424462 | SDCCGSBI-0046858.P002 | CHEBI:125473 | B2 | Oprea1_532455 | Q27216092 | (4-chlorophenyl)(4-(8-nitroquinolin-5-yl)piperazin-1-yl)methanone | CBMicro_046
Specifications & Purity
≥98%(HPLC)
Biochemical and Physiological Mechanisms
Misfolded proteins accumulate in many neurodegenerative diseases, including huntingtin in Huntington′s disease and alpha-synuclein in Parkinson′s disease. The disease-causing proteins can take various conformations and are prone to aggregate and form larg
Storage
Protected from light,Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488194644
Canonical Smiles
C1CN(CCN1C2=C3C=CC=NC3=C(C=C2)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl
IUPAC Name
(4-chlorophenyl)-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]methanone
InChIKey
KLNPVNZJCWIQSK-UHFFFAOYSA-N
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
Isomeric SMILES
C1CN(CCN1C2=C3C=CC=NC3=C(C=C2)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13062388&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Diazinanes Subclass Piperazines Intermediate Tree Nodes Not available Direct Parent N-arylpiperazines Alternative Parents Aminoquinolines and derivatives 4-halobenzoic acids and derivatives Benzamides Nitroaromatic compounds Dialkylarylamines Benzoyl derivatives Chlorobenzenes Pyridines and derivatives Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Organopnictogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents N-arylpiperazine - Aminoquinoline - Quinoline - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - Pyridine - Benzenoid - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Organic nitro compound - Carboxamide group - C-nitro compound - Tertiary amine - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Solvent:DMSO, Max Conc. mg/mL: 39.68, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 3.97, Max Conc. mM: 10 Sensitivity light & Moisture & air sensitive Molecular Weight 396.800 g/mol XLogP3 3.700 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 2 Exact Mass 396.099 Da Monoisotopic Mass 396.099 Da Topological Polar Surface Area 82.300 Ų Heavy Atom Count 28 Formal Charge 0 Complexity 570.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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