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· · COA & SDS available for every product · Same-day shipping on in-stock items ONO-8130 - Moligand™ , Antagonist of EP 1 receptor, CAS No.O612518, Antagonist of EP 1 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
AC-36636 | BDBM190564 | 4-[[6-[2-methylpropyl-[(4-methyl-1,3-thiazol-2-yl)sulfonyl]amino]-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzoic acid | Benzoic acid, 4-(((2,3-dihydro-6-((2-methylpropyl)((4-methyl-2-thiazolyl)sulfonyl)amino)-1H-inden-5-yl)oxy)methyl)
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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
AC-36636 | BDBM190564 | 4-[[6-[2-methylpropyl-[(4-methyl-1, 3-thiazol-2-yl)sulfonyl]amino]-2, 3-dihydro-1H-inden-5-yl]oxymethyl]benzoic acid | Benzoic acid, 4-(((2, 3-dihydro-6-((2-methylpropyl)((4-methyl-2-thiazolyl)sulfonyl)amino)-1H-inden-5-yl)oxy)methyl)
Specifications & Purity
Moligand™
Mechanism of action
Antagonist of EP 1 receptor
Names and Identifiers Canonical Smiles CC(CN(S(=O)(=O)c1scc(n1)C)c1cc2CCCc2cc1OCc1ccc(cc1)C(=O)O)C IUPAC Name 4-[[6-[2-methylpropyl-[(4-methyl-1,3-thiazol-2-yl)sulfonyl]amino]-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzoic acid InChIKey IOXMDBQCUCDLAF-UHFFFAOYSA-N INCHI 1S/C25H28N2O5S2/c1-16(2)13-27(34(30,31)25-26-17(3)15-33-25)22-11-20-5-4-6-21(20)12-23(22)32-14-18-7-9-19(10-8-18)24(28)29/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,28,29) Isomeric SMILES CC1=CSC(=N1)S(=O)(=O)N(CC(C)C)C2=C(C=C3CCCC3=C2)OCC4=CC=C(C=C4)C(=O)O PubChem CID 9827317
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 Sulfanilides Intermediate Tree Nodes Not available Direct Parent Sulfanilides Alternative Parents Indanes Benzoic acids Phenol ethers Benzoyl derivatives Alkyl aryl ethers 2,4-disubstituted thiazoles Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Sulfanilide - Benzoic acid or derivatives - Benzoic acid - Indane - Benzoyl - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Organosulfonic acid amide - Azole - Heteroaromatic compound - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Thiazole - Sulfonyl - Azacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1. 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 500.600 g/mol XLogP3 5.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 9 Exact Mass 500.144 Da Monoisotopic Mass 500.144 Da Topological Polar Surface Area 133.000 Ų Heavy Atom Count 34 Formal Charge 0 Complexity 794.000 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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