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· · COA & SDS Disponibile per ogni prodotto · Spedizione lo stesso giorno su articoli in magazzino JTV-803 - Moligand™ , Inhibitor of coagulation factor X, CAS No.247131-06-2, Inhibitor of coagulation factor X
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
SCHEMBL6191447 | JTV803 | 4-(2-amidino-1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)-1-(pyridin-4-yl)piperidine-4-carboxylic acid | BDBM50157335 | 4-Piperidinecarboxylic acid, 4-(((2-(aminoiminomethyl)-1,2,3,4-tetrahydro-7-isoquinolinyl)oxy)methyl)-1-(4-py
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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 Sinonimi
SCHEMBL6191447 | JTV803 | 4-(2-amidino-1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)-1-(pyridin-4-yl)piperidine-4-carboxylic acid | BDBM50157335 | 4-Piperidinecarboxylic acid, 4-(((2-(aminoiminomethyl)-1,2,3,4-tetrahydro-7-isoquinolinyl)oxy)methyl)-1-(4-py
Specifiche e purezza
Moligand™
Condizioni di conservazione di stoccaggio
Room temperature
Meccanismo d'azione
Inhibitor of coagulation factor X
Nomi e identificatori Sorrisi canonici NC(=N)N1CCc2c(C1)cc(cc2)OCC1(CCN(CC1)c1ccncc1)C(=O)O IUPAC Name 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-pyridin-4-ylpiperidine-4-carboxylic acid InChIKey MISBTXJXWSXZBF-UHFFFAOYSA-N INCHI 1S/C22H27N5O3/c23-21(24)27-10-5-16-1-2-19(13-17(16)14-27)30-15-22(20(28)29)6-11-26(12-7-22)18-3-8-25-9-4-18/h1-4,8-9,13H,5-7,10-12,14-15H2,(H3,23,24)(H,28,29) Isomeri SMILES C1CN(CC2=C1C=CC(=C2)OCC3(CCN(CC3)C4=CC=NC=C4)C(=O)O)C(=N)N PubChem CID 9844392
Documentazione 📋 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 Classe Tetrahydroisoquinolines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Tetrahydroisoquinolines Alternative Parents Piperidinecarboxylic acids Phenol ethers Dialkylarylamines Alkyl aryl ethers Aminopyridines and derivatives Heteroaromatic compounds Amino acids Guanidines Monocarboxylic acids and derivatives Azacyclic compounds Carboximidamides Carboxylic acids Carbonyl compounds Imines Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Tetrahydroisoquinoline - Piperidinecarboxylic acid - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Alkyl aryl ether - Aminopyridine - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Amino acid - Guanidine - Azacycle - Carboximidamide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Imine - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound Descrizione This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives. 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.
Struttura 3D Obiettivi associati (umani) Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Peso molecolare 409.500 g/mol XLogP3 1.300 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 6 Exact Mass 409.211 Da Monoisotopic Mass 409.211 Da Topological Polar Surface Area 116.000 Ų Heavy Atom Count 30 Formal Charge 0 Complexity 616.000 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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