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· · COA & SDS available for every product · Same-day shipping on in-stock items DCPIB - Moligand™, ≥98%(HPLC) , CAS No.82749-70-0
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. ≥98%(HPLC) Synonyms
AT39417 | HMS3676J03 | NSC-36076 | (-) 4-[(2-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy]butanoic acid | AC-3491 | CHEBI:91677 | GTPL4174 | NCGC00092283-02 | E0001 | AKOS024456655 | 4-((2-Butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3
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Why this grade Moligand™, ≥98%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C Ships Wet ice 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
AT39417 | HMS3676J03 | NSC-36076 | (-) 4-[(2-butyl-6, 7-dichloro-2-cyclopentyl-2, 3-dihydro-1-oxo-1H-inden-5-yl)oxy]butanoic acid | AC-3491 | CHEBI:91677 | GTPL4174 | NCGC00092283-02 | E0001 | AKOS024456655 | 4-((2-Butyl-6, 7-dichloro-2-cyclopentyl-1-oxo-2, 3
Specifications & Purity
Moligand™, ≥98%(HPLC)
Biochemical and Physiological Mechanisms
Volume-regulated anion channel (VRAC) blocker (IC50~ 2μM in rat pancreaticβ-cells). Also blocks ICl, swellin various cardiovascular tissues (IC50= 4.1μM in CPAE cells). Inhibits glucose-stimulated insulin secretion in intactβ-cells via VSAC inhibition and
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 504765230 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504765230 Canonical Smiles CCCCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCCC(=O)O)C3CCCC3 IUPAC Name 4-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxy]butanoic acid InChIKey KHKGTPJPBOQECW-UHFFFAOYSA-N INCHI 1S/C22H28Cl2O4/c1-2-3-10-22(15-7-4-5-8-15)13-14-12-16(28-11-6-9-17(25)26)19(23)20(24)18(14)21(22)27/h12,15H,2-11,13H2,1H3,(H,25,26) Isomeric SMILES CCCCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCCC(=O)O)C3CCCC3 Molecular Weight 427.37 Reaxy-Rn 5309989 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5309989&ln=
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 Indanes Subclass Indanones Intermediate Tree Nodes Not available Direct Parent Indanones Alternative Parents Aryl alkyl ketones Alkyl aryl ethers Aryl chlorides Vinylogous halides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homopolycyclic compounds Substituents Indanone - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Aryl chloride - Aryl halide - Vinylogous halide - Ketone - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organochloride - Hydrocarbon derivative - Organohalogen compound - Aromatic homopolycyclic compound Description This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone 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 Solubility Solvent:ethanol, Max Conc. mg/mL: 42.74, Max Conc. mM: 100 Molecular Weight 427.400 g/mol XLogP3 6.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 9 Exact Mass 426.136 Da Monoisotopic Mass 426.136 Da Topological Polar Surface Area 63.600 Ų Heavy Atom Count 28 Formal Charge 0 Complexity 563.000 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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Reconstitution Calculator Reviews 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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