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· · COA & SDS available for every product · Same-day shipping on in-stock items timcodar - Moligand™ , CAS No.179033-51-3
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. Synonyms
TIMCODAR [WHO-DD] | Timcodar [INN] | (S)-N-BENZYL-P-CHLORO-.ALPHA.-(N-METHYL-2-(3,4,5-TRIMETHOXYPHENYL)GLYOXYLAMIDO)-N-(3-(4-PYRIDYL)-1-(2-(4-PYRIDYL)ETHYL)PROPYL)HYDROCINNAMAMIDE | VX853 | vx-853 | Benzenepropanamide, 4-chloro-alpha-(methyl(oxo(3,4,5-tri
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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 Synonyms
TIMCODAR [WHO-DD] | Timcodar [INN] | (S)-N-BENZYL-P-CHLORO-.ALPHA.-(N-METHYL-2-(3, 4, 5-TRIMETHOXYPHENYL)GLYOXYLAMIDO)-N-(3-(4-PYRIDYL)-1-(2-(4-PYRIDYL)ETHYL)PROPYL)HYDROCINNAMAMIDE | VX853 | vx-853 | Benzenepropanamide, 4-chloro-alpha-(methyl(oxo(3, 4, 5-tri
Specifications & Purity
Moligand™
Names and Identifiers Canonical Smiles COc1cc(cc(c1OC)OC)C(=O)C(=O)N([C@H](C(=O)N(C(CCc1ccncc1)CCc1ccncc1)Cc1ccccc1)Cc1ccc(cc1)Cl)C IUPAC Name (2S)-N-benzyl-3-(4-chlorophenyl)-N-(1,5-dipyridin-4-ylpentan-3-yl)-2-[methyl-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]amino]propanamide InChIKey MQSMWZHHUGSULF-QNGWXLTQSA-N INCHI 1S/C43H45ClN4O6/c1-47(43(51)40(49)34-27-38(52-2)41(54-4)39(28-34)53-3)37(26-32-10-14-35(44)15-11-32)42(50)48(29-33-8-6-5-7-9-33)36(16-12-30-18-22-45-23-19-30)17-13-31-20-24-46-25-21-31/h5-11,14-15,18-25,27-28,36-37H,12-13,16-17,26,29H2,1-4H3/t37-/m0/s1 Isomeric SMILES CN([C@@H](CC1=CC=C(C=C1)Cl)C(=O)N(CC2=CC=CC=C2)C(CCC3=CC=NC=C3)CCC4=CC=NC=C4)C(=O)C(=O)C5=CC(=C(C(=C5)OC)OC)OC PubChem CID 9811664
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 Amino acids and derivatives - Alpha amino acids and derivatives Direct Parent Phenylalanine and derivatives Alternative Parents Phenylacetamides Amphetamines and derivatives Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Aryl ketones Alkyl aryl ethers Chlorobenzenes Pyridines and derivatives Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenylalanine or derivatives - Amphetamine or derivatives - Phenylacetamide - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Aryl ketone - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Ketone - Carboxamide group - Ether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. 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 749.300 g/mol XLogP3 7.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 18 Exact Mass 748.303 Da Monoisotopic Mass 748.303 Da Topological Polar Surface Area 111.000 Ų Heavy Atom Count 54 Formal Charge 0 Complexity 1100.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 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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