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· · COA & SDS available for every product · Same-day shipping on in-stock items Home Applications Drug Discovery 2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}ethenesulfonamide , CAS No.478644-12-1 2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}ethenesulfonamide , CAS No.478644-12-1
Synonyms
GW-813893 | UNII-1Y3JD5PEMS | 1Y3JD5PEMS | 2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}ethenesulfonamide | 4-((2S)-2-((3S)-3-((((E)-2-(5-Chloro-2-thienyl)ethenyl)sulfonyl)amino)-2-oxo-1-pyrrolidinyl)-1
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Why this grade 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
GW-813893 | UNII-1Y3JD5PEMS | 1Y3JD5PEMS | 2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}ethenesulfonamide | 4-((2S)-2-((3S)-3-((((E)-2-(5-Chloro-2-thienyl)ethenyl)sulfonyl)amino)-2-oxo-1-pyrrolidinyl)-1
Product Properties Names and Identifiers Canonical Smiles CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)C=CC3=CC=C(S3)Cl IUPAC Name (E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide InChIKey ACEFOQMQINFMRW-DYCFVMESSA-N INCHI 1S/C17H22ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,5,11-12,14,19H,4,6-10H2,1H3/b11-5+/t12-,14-/m0/s1 Isomeric SMILES C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)/C=C/C3=CC=C(S3)Cl PubChem CID 9911502 Molecular Weight 448
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 Organic acids and derivatives Class Carboxylic acids and derivatives Subclass Amino acids, peptides, and analogues Intermediate Tree Nodes Peptides Direct Parent Dipeptides Alternative Parents Alpha amino acids and derivatives 2,5-disubstituted thiophenes Pyrrolidine-2-ones Organosulfonamides Organic sulfonamides Aryl chlorides N-alkylpyrrolidines Morpholines Tertiary carboxylic acid amides Aminosulfonyl compounds Heteroaromatic compounds Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Alpha-dipeptide - Alpha-amino acid or derivatives - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Morpholine - Oxazinane - Pyrrolidone - 2-pyrrolidone - Organic sulfonic acid amide - Organosulfonic acid amide - N-alkylpyrrolidine - Aminosulfonyl compound - Thiophene - Tertiary carboxylic acid amide - Sulfonyl - Heteroaromatic compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Lactam - Carboxamide group - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. 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 448.000 g/mol XLogP3 1.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 6 Exact Mass 447.069 Da Monoisotopic Mass 447.069 Da Topological Polar Surface Area 133.000 Ų Heavy Atom Count 28 Formal Charge 0 Complexity 721.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 2 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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