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· · COA & SDS available for every product · Same-day shipping on in-stock items LY 3000328 - Moligand™,≥98% , CAS No.1373215-15-6
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% Synonyms
(3R,4S)-4-(4-Fluorobenzamido)-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-1-benzopyran-3-yl methylcarbamate | AKOS030526459 | LY3000328 | LY-3000328 | Cathepsin S inhibitorCathepsin S inhibitor | Z-FL-COCHO | C72497 | EX-A2231 | SCHEMBL2618738 | (3R,
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C,Argon charged 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.
Overview LY 3000328 (Z-FL-COCHO) is a potent and selective Cathepsin S (Cat S) inhibitor with IC50s of 7.7 and 1.67 nM for hCat S and mCat S, respectively.
Specifications Synonyms
(3R, 4S)-4-(4-Fluorobenzamido)-6-[4-(oxetan-3-yl)piperazin-1-yl]-3, 4-dihydro-2H-1-benzopyran-3-yl methylcarbamate | AKOS030526459 | LY3000328 | LY-3000328 | Cathepsin S inhibitorCathepsin S inhibitor | Z-FL-COCHO | C72497 | EX-A2231 | SCHEMBL2618738 | (3R,
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
LY3000328 is an active, non-covalent, potent and selective cathepsin S (Cat S, Cat-S, CatS, CTSS) inhibitor (human/mouse CatS IC50 = 7.7/1.67 nM) that targets the S2 and S3 subsites without interacting with the active site Cys25. LY3000328 prevents high g
Storage
Store at -20°C, Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CNC(=O)OC1COC2=C(C1NC(=O)C3=CC=C(C=C3)F)C=C(C=C2)N4CCN(CC4)C5COC5 IUPAC Name [(3R,4S)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl] N-methylcarbamate InChIKey NDEBZCZEAVMSQF-GOTSBHOMSA-N INCHI 1S/C25H29FN4O5/c1-27-25(32)35-22-15-34-21-7-6-18(29-8-10-30(11-9-29)19-13-33-14-19)12-20(21)23(22)28-24(31)16-2-4-17(26)5-3-16/h2-7,12,19,22-23H,8-11,13-15H2,1H3,(H,27,32)(H,28,31)/t22-,23-/m0/s1 Isomeric SMILES CNC(=O)O[C@H]1COC2=C([C@@H]1NC(=O)C3=CC=C(C=C3)F)C=C(C=C2)N4CCN(CC4)C5COC5 Alternate CAS 1373215-15-6 MeSH Entry Terms LY3000328 Molecular Weight 484.52
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 N-arylpiperazines Alternative Parents 1-benzopyrans 4-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Dialkylarylamines Alkyl aryl ethers Fluorobenzenes N-alkylpiperazines Aryl fluorides Carbamate esters Trialkylamines Secondary carboxylic acid amides Oxetanes Organic carbonic acids and derivatives Dialkyl ethers Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organic oxides Organofluorides Molecular Framework Aromatic heteropolycyclic compounds Substituents N-arylpiperazine - Chromane - Benzopyran - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1-benzopyran - Benzamide - Benzoic acid or derivatives - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - N-alkylpiperazine - Alkyl aryl ether - Halobenzene - Fluorobenzene - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Carbamic acid ester - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Oxetane - Carboxamide group - Carbonic acid derivative - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organofluoride - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organohalogen compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl 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 DMSO : ≥ 50 mg/mL (103.19 mM) Molecular Weight 484.500 g/mol XLogP3 2.000 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 6 Exact Mass 484.212 Da Monoisotopic Mass 484.212 Da Topological Polar Surface Area 92.400 Ų Heavy Atom Count 35 Formal Charge 0 Complexity 739.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 2 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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