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· · COA & SDS available for every product · Same-day shipping on in-stock items ML 349 - ≥98% , CAS No.890819-86-0
Synonyms
(5,5-Dioxido-4H-thieno[3,2-c][1]benzothiopyran-2-yl)[4-(4-methoxyphenyl)-1-piperazinyl]methanone | ML 349 | ML-349 | (5,5-Dioxo-4H-thieno[4,5-c]thiochromen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
Shipped In
Ice chest + Ice pads
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads 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
(5, 5-Dioxido-4H-thieno[3, 2-c][1]benzothiopyran-2-yl)[4-(4-methoxyphenyl)-1-piperazinyl]methanone | ML 349 | ML-349 | (5, 5-Dioxo-4H-thieno[4, 5-c]thiochromen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Selective and reversible lysophospholipase 2 (LYPLA2) inhibitor (IC50= 144 nM). Displays selectively over LYPLA1 and 20 other serine hydrolases (IC50values are >3000 and >10, 000 nM respectively).
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 504768073 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504768073 Canonical Smiles COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5S(=O)(=O)C4 IUPAC Name (5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone InChIKey YVIJPELUPZUEJX-UHFFFAOYSA-N INCHI 1S/C23H22N2O4S2/c1-29-18-8-6-17(7-9-18)24-10-12-25(13-11-24)23(26)20-14-16-15-31(27,28)21-5-3-2-4-19(21)22(16)30-20/h2-9,14H,10-13,15H2,1H3 Isomeric SMILES COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5S(=O)(=O)C4 Molecular Weight 454.56 Reaxy-Rn 22801384 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22801384&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 Organoheterocyclic compounds Class Diazinanes Subclass Piperazines Intermediate Tree Nodes Not available Direct Parent Phenylpiperazines Alternative Parents N-arylpiperazines 1-benzothiopyrans Methoxyanilines Aminophenyl ethers Thiophene carboxamides 2,3,5-trisubstituted thiophenes Phenoxy compounds 2-heteroaryl carboxamides Methoxybenzenes Dialkylarylamines Anisoles Alkyl aryl ethers Tertiary carboxylic acid amides Sulfones Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Molecular Framework Aromatic heteropolycyclic compounds Substituents N-arylpiperazine - Phenylpiperazine - Methoxyaniline - Aminophenyl ether - Benzothiopyran - 1-benzothiopyran - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - 2-heteroaryl carboxamide - Anisole - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Sulfone - Tertiary carboxylic acid amide - Thiophene - Carboxamide group - Tertiary amine - Amino acid or derivatives - Ether - Carboxylic acid derivative - Azacycle - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl 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:DMSO, Max Conc. mg/mL: 9.09, Max Conc. mM: 20 Molecular Weight 454.600 g/mol XLogP3 3.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 3 Exact Mass 454.102 Da Monoisotopic Mass 454.102 Da Topological Polar Surface Area 104.000 Ų Heavy Atom Count 31 Formal Charge 0 Complexity 754.000 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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