The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
· · COA & SDS available for every product · Same-day shipping on in-stock items TCS 2314 - Moligand™, ≥98% , Inhibitor of integrin α4β1, CAS No.317353-73-4, Inhibitor of integrin α4β1
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
2-[1-[(3S)-4-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]morpholine-3-carbonyl]piperidin-4-yl]acetic acid
Shipped In
Ice chest + Ice pads
🧪
Why this grade Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
🌡
Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
📋
Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
📚
Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview
TCS 2314 (compound 3) is a selective very late antigen-4 (VLA-4, α4β1, CD49d/CD29) antagonist with an IC50 of 4.4 nM
Specifications Synonyms
2-[1-[(3S)-4-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]morpholine-3-carbonyl]piperidin-4-yl]acetic acid
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
Integrin very late antigen-4 (VLA-4;α4β1) antagonist (IC50= 4.4 nM). Blocks the activation of inflammatory cells.
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Mechanism of action
Inhibitor of integrin α4β1
Names and Identifiers Canonical Smiles CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N3CCOCC3C(=O)N4CCC(CC4)CC(=O)O IUPAC Name 2-[1-[(3S)-4-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]morpholine-3-carbonyl]piperidin-4-yl]acetic acid InChIKey ITXAAOWFOURIHK-DEOSSOPVSA-N INCHI 1S/C28H34N4O6/c1-19-4-2-3-5-23(19)30-28(37)29-22-8-6-20(7-9-22)16-25(33)32-14-15-38-18-24(32)27(36)31-12-10-21(11-13-31)17-26(34)35/h2-9,21,24H,10-18H2,1H3,(H,34,35)(H2,29,30,37)/t24-/m0/s1 Isomeric SMILES CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N3CCOC[C@H]3C(=O)N4CCC(CC4)CC(=O)O PubChem CID 11226207 Molecular Weight 522.59
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 Benzenoids Class Benzene and substituted derivatives Subclass N-phenylureas Intermediate Tree Nodes Not available Direct Parent N-phenylureas Alternative Parents Alpha amino acids and derivatives Phenylacetamides Morpholine carboxylic acids and derivatives N-acylpiperidines Toluenes Tertiary carboxylic acid amides Ureas Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Alpha-amino acid or derivatives - N-phenylurea - Phenylacetamide - Morpholine-3-carboxylic acid or derivatives - N-acyl-piperidine - Toluene - Morpholine - Oxazinane - Piperidine - Tertiary carboxylic acid amide - Carboxamide group - Urea - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea 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: 52.26, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 26.13, Max Conc. mM: 50 Molecular Weight 522.600 g/mol XLogP3 1.700 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 7 Exact Mass 522.248 Da Monoisotopic Mass 522.248 Da Topological Polar Surface Area 128.000 Ų Heavy Atom Count 38 Formal Charge 0 Complexity 837.000 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
Solution Calculators Molarity Calculator Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator Reviews Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
We use cookies to ensure the website functions properly and, where permitted, to improve your experience. You can manage your preferences at any time in Settings. Learn more in our
Cookie Policy. Settings Agree All Decline
Shall we send you a message when we have discounts available?
Remind me later Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
Products are supplied to verified businesses, institutions, and qualified professionals for research and development use only. Not for use in humans, animals, diagnosis, or therapy.
Copyright © 2023–present Aladdin Scientific Corp. All rights reserved.
C2512668