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· · COA & SDS für jedes Produkt verfügbar · Versand am selben Tag auf Lager BMS-962212 - Moligand™ , CAS No.B608143
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
compound 55 [PMID: 29077405] | UNII-VWJ4VVZ3OU | (S,E)-4-(2-(3-(3-Chloro-2-fluoro-6-(1H-tetrazol-1- yl)phenyl)acryloyl)-5-(4-methyl-2-oxopiperazin-1-yl)- 1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid | GTPL9884 | (S,E)-4-(2-(3-(3-chloro-2-fluo
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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 Synonyme
compound 55 [PMID: 29077405] | UNII-VWJ4VVZ3OU | (S,E)-4-(2-(3-(3-Chloro-2-fluoro-6-(1H-tetrazol-1- yl)phenyl)acryloyl)-5-(4-methyl-2-oxopiperazin-1-yl)- 1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid | GTPL9884 | (S,E)-4-(2-(3-(3-chloro-2-fluo
Spezifikationen & Reinheit
Moligand™
Namen und Kennungen Kanonisches Lächeln CN1CCN(C(=O)C1)c1cccc2c1CCN([C@@H]2C(=O)Nc1ccc(cc1)C(=O)O)C(=O)/C=C/c1c(F)c(Cl)ccc1n1cnnn1 IUPAC Name 4-[[(1S)-2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(4-methyl-2-oxopiperazin-1-yl)-3,4-dihydro-1H-isoquinoline-1-carbonyl]amino]benzoic acid InChIKey WYFCZWSWFGJODV-MIANJLSGSA-N INCHI 1S/C32H28ClFN8O5/c1-39-15-16-40(28(44)17-39)25-4-2-3-22-21(25)13-14-41(30(22)31(45)36-20-7-5-19(6-8-20)32(46)47)27(43)12-9-23-26(42-18-35-37-38-42)11-10-24(33)29(23)34/h2-12,18,30H,13-17H2,1H3,(H,36,45)(H,46,47)/b12-9+/t30-/m0/s1 Isomere SMILES CN1CCN(C(=O)C1)C2=CC=CC3=C2CCN([C@@H]3C(=O)NC4=CC=C(C=C4)C(=O)O)C(=O)/C=C/C5=C(C=CC(=C5F)Cl)N6C=NN=N6 PubChem CID 71548883
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 Klasse Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Acylaminobenzoic acid and derivatives Alternative Parents Cinnamic acids and derivatives N-arylpiperazines Phenyltetrazoles and derivatives Tetrahydroisoquinolines Alpha amino acids and derivatives Benzoic acids Anilides Benzoyl derivatives N-arylamides Styrenes Fluorobenzenes Chlorobenzenes N-methylpiperazines Aryl chlorides Aryl fluorides Heteroaromatic compounds Tertiary carboxylic acid amides Trialkylamines Lactams Secondary carboxylic acid amides Amino acids Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Molecular Framework Aromatic heteropolycyclic compounds Substituents Acylaminobenzoic acid or derivatives - Cinnamic acid or derivatives - N-arylpiperazine - Phenyltetrazole - Alpha-amino acid or derivatives - Tetrahydroisoquinoline - Benzoic acid - Anilide - Benzoyl - N-arylamide - Styrene - Fluorobenzene - Halobenzene - Chlorobenzene - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Aryl chloride - Aryl fluoride - Aryl halide - Piperazine - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Tetrazole - Amino acid - Lactam - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound Beschreibung This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated. 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-Struktur Zugehörige Ziele (menschlich) Zugehörige Ziele (nicht menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Molekulargewicht 659.100 g/mol XLogP3 0.900 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 10 Rotatable Bond Count 7 Exact Mass 658.186 Da Monoisotopic Mass 658.186 Da Topological Polar Surface Area 154.000 Ų Heavy Atom Count 47 Formal Charge 0 Complexity 1210.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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Reconstitution Calculator Bewertungen Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
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