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· · COA & SDS available for every product · Same-day shipping on in-stock items GR 89696 - Moligand™ , Agonist of κ receptor, CAS No.126766-31-2, Agonist of κ receptor
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Synonyms
GR 85571 | NCGC00025181-02 | 4-[(3,4-dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid methyl ester | GTPL1649 | BDBM50027433 | NCGC00025181-03 | CCG-204661 | DTXSID50875164 | Lopac0_000572 | UNII-YXV3Q43RS9 | L003484 | 1-Piperaz
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Why this grade Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
GR 85571 | NCGC00025181-02 | 4-[(3, 4-dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid methyl ester | GTPL1649 | BDBM50027433 | NCGC00025181-03 | CCG-204661 | DTXSID50875164 | Lopac0_000572 | UNII-YXV3Q43RS9 | L003484 | 1-Piperaz
Specifications & Purity
Moligand™
Mechanism of action
Agonist of κ receptor
Names and Identifiers Canonical Smiles COC(=O)N1CCN(C(C1)CN1CCCC1)C(=O)Cc1ccc(c(c1)Cl)Cl IUPAC Name methyl 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate InChIKey HJUAKZYKCANOOZ-UHFFFAOYSA-N INCHI 1S/C19H25Cl2N3O3/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14/h4-5,10,15H,2-3,6-9,11-13H2,1H3 Isomeric SMILES COC(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl PubChem CID 3505
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 Benzenoids Class Benzene and substituted derivatives Subclass Phenylacetamides Intermediate Tree Nodes Not available Direct Parent Phenylacetamides Alternative Parents Piperazine carboxylic acids Dichlorobenzenes N-alkylpyrrolidines Aryl chlorides Tertiary carboxylic acid amides Methylcarbamates Trialkylamines Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenylacetamide - Piperazine-1-carboxylic acid - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - N-alkylpyrrolidine - 1,4-diazinane - Piperazine - Carbamic acid ester - Tertiary carboxylic acid amide - Pyrrolidine - Methylcarbamate - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carbonic acid derivative - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Organic oxide - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids. 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 Molecular Weight 414.300 g/mol XLogP3 2.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 5 Exact Mass 413.127 Da Monoisotopic Mass 413.127 Da Topological Polar Surface Area 53.100 Ų Heavy Atom Count 27 Formal Charge 0 Complexity 530.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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