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· · COA & SDS available for every product · Same-day shipping on in-stock items SAFit1 - Moligand™ , Inhibitor of FKBP prolyl isomerase 5, CAS No.S613395, Inhibitor of FKBP prolyl isomerase 5
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.
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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 Specifications & Purity
Moligand™
Mechanism of action
Inhibitor of FKBP prolyl isomerase 5
Names and Identifiers Canonical Smiles COc1ccc(cc1OC)CC[C@H](c1cccc(c1)OCC(=O)O)OC(=O)[C@@H]1CCCCN1C(=O)[C@H](c1cc(OC)c(c(c1)OC)OC)C1CCCCC1 IUPAC Name 2-[3-[(1R)-1-[(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carbonyl]oxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]acetic acid InChIKey OEQZPFWOEOOISR-AKTKKGGCSA-N INCHI 1S/C42H53NO11/c1-48-34-20-18-27(22-35(34)49-2)17-19-33(29-14-11-15-31(23-29)53-26-38(44)45)54-42(47)32-16-9-10-21-43(32)41(46)39(28-12-7-6-8-13-28)30-24-36(50-3)40(52-5)37(25-30)51-4/h11,14-15,18,20,22-25,28,32-33,39H,6-10,12-13,16-17,19,21,26H2,1-5H3,(H,44,45)/t32-,33+,39-/m0/s1 Isomeric SMILES COC1=C(C=C(C=C1)CC[C@H](C2=CC(=CC=C2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C4CCCCC4)C5=CC(=C(C(=C5)OC)OC)OC)OC PubChem CID 86277875
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 Phenylpropanoids and polyketides Class Linear 1,3-diarylpropanoids Subclass Not available Intermediate Tree Nodes Not available Direct Parent Linear 1,3-diarylpropanoids Alternative Parents Alpha amino acid esters Phenoxyacetic acid derivatives Benzyloxycarbonyls Dimethoxybenzenes Phenylacetamides N-acylpiperidines Piperidinecarboxylic acids Phenoxy compounds Anisoles Alkyl aryl ethers Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Carboxylic acid esters Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Linear 1,3-diarylpropanoid - Alpha-amino acid ester - Phenoxyacetate - Alpha-amino acid or derivatives - Phenylacetamide - O-dimethoxybenzene - Dimethoxybenzene - Benzyloxycarbonyl - N-acyl-piperidine - Piperidinecarboxylic acid - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Piperidine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together. 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) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 747.900 g/mol XLogP3 8.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 11 Rotatable Bond Count 18 Exact Mass 747.362 Da Monoisotopic Mass 747.362 Da Topological Polar Surface Area 139.000 Ų Heavy Atom Count 54 Formal Charge 0 Complexity 1150.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 3 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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