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· · COA & SDS available for every product · Same-day shipping on in-stock items BMY-14802 - Moligand™ , Agonist of 5-HT 1A receptor, CAS No.105565-56-8, Agonist of 5-HT 1A 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
alpha-(4-Fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanol | 1-Piperazinebutanol, a-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-, hydrochloride (1:1);1-Piperazinebutanol, a-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-, hydrochloride (1:1) | Ca
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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
alpha-(4-Fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanol | 1-Piperazinebutanol, a-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-, hydrochloride (1:1);1-Piperazinebutanol, a-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-, hydrochloride (1:1) | Ca
Specifications & Purity
Moligand™
Mechanism of action
Agonist of 5-HT 1A receptor
Names and Identifiers Canonical Smiles C1CN(CCN1CCCC(C2=CC=C(C=C2)F)O)C3=NC=C(C=N3)F IUPAC Name 1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol InChIKey ZXUYYZPJUGQHLQ-UHFFFAOYSA-N INCHI 1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2 Isomeric SMILES C1CN(CCN1CCCC(C2=CC=C(C=C2)F)O)C3=NC=C(C=N3)F PubChem CID 108046 Molecular Weight 348.39
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 Phenylbutylamines Dialkylarylamines Aminopyrimidines and derivatives Aralkylamines N-alkylpiperazines Halopyrimidines Fluorobenzenes Aryl fluorides Heteroaromatic compounds Trialkylamines Secondary alcohols Azacyclic compounds Hydrocarbon derivatives Aromatic alcohols Organofluorides Organopnictogen compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents N-arylpiperazine - Phenylbutylamine - Dialkylarylamine - Aminopyrimidine - Fluorobenzene - Halobenzene - Halopyrimidine - N-alkylpiperazine - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Azacycle - Alcohol - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Aromatic heteromonocyclic 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 Molecular Weight 348.400 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 6 Exact Mass 348.176 Da Monoisotopic Mass 348.176 Da Topological Polar Surface Area 52.500 Ų Heavy Atom Count 25 Formal Charge 0 Complexity 379.000 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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