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· · COA & SDS available for every product · Same-day shipping on in-stock items NVS-PI3-4 - Moligand™,≥99% , CAS No.941580-60-5
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. ≥99% Synonyms
3-(3-(5-(4-Acetylphenyl)-4-methylthiazol-2-yl)ureido)-N-(tert-butyl)propanamide
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™,≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C 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 NVS-PI3-4 is a specific PI3Kγ inhibitor. NVS-PI3-4 can be used for the research of allergies, inflammatory and cancer diseases.
Specifications Synonyms
3-(3-(5-(4-Acetylphenyl)-4-methylthiazol-2-yl)ureido)-N-(tert-butyl)propanamide
Specifications & Purity
Moligand™, ≥99%
Biochemical and Physiological Mechanisms
NVS-PI3-4 is a specific PI3Kγ inhibitor. NVS-PI3-4 can be used for the research of allergies, inflammatory and cancer diseases.
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 CC1=C(SC(=N1)NC(=O)NCCC(=O)NC(C)(C)C)C2=CC=C(C=C2)C(=O)C IUPAC Name 3-[[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-N-tert-butylpropanamide InChIKey IUPXLLWDLOWEBR-UHFFFAOYSA-N INCHI 1S/C20H26N4O3S/c1-12-17(15-8-6-14(7-9-15)13(2)25)28-19(22-12)23-18(27)21-11-10-16(26)24-20(3,4)5/h6-9H,10-11H2,1-5H3,(H,24,26)(H2,21,22,23,27) Isomeric SMILES CC1=C(SC(=N1)NC(=O)NCCC(=O)NC(C)(C)C)C2=CC=C(C=C2)C(=O)C PubChem CID 23585510 Molecular Weight 402.51
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 oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Beta amino acids and derivatives Acetophenones Benzoyl derivatives Aryl alkyl ketones 2,4,5-trisubstituted thiazoles Heteroaromatic compounds Ureas Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Alkyl-phenylketone - Beta amino acid or derivatives - Acetophenone - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Urea - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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 : 250 mg/mL (621.10 mM; Need ultrasonic) Molecular Weight 402.500 g/mol XLogP3 2.300 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 7 Exact Mass 402.173 Da Monoisotopic Mass 402.173 Da Topological Polar Surface Area 128.000 Ų Heavy Atom Count 28 Formal Charge 0 Complexity 570.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 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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