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· · COA & SDS available for every product · Same-day shipping on in-stock items K-Ras(G12C) inhibitor 12 - Moligand™, ≥97% , CAS No.1469337-95-8
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. ≥97% Synonyms
1-[4-[2-[(4-chloro-2-hydroxy-5-iodophenyl)amino]acetyl]-1-piperazinyl]-2-propen-1-one
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™, ≥97% 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.
Specifications Synonyms
1-[4-[2-[(4-chloro-2-hydroxy-5-iodophenyl)amino]acetyl]-1-piperazinyl]-2-propen-1-one
Specifications & Purity
Moligand™, ≥97%
Biochemical and Physiological Mechanisms
K-Ras(G12C) inhibitor 12 is an allosteric inhibitor of oncogenic K-Ras(G12C).
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Properties ALogP 1.819 hba_count 2 HBD Count 2 Rotatable Bond 4
Names and Identifiers Pubchem Sid 504772346 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504772346 Canonical Smiles C=CC(=O)N1CCN(CC1)C(=O)CNC2=CC(=C(C=C2O)Cl)I IUPAC Name 1-[4-[2-(4-chloro-2-hydroxy-5-iodoanilino)acetyl]piperazin-1-yl]prop-2-en-1-one InChIKey JFIFBWVNHLXJFY-UHFFFAOYSA-N INCHI 1S/C15H17ClIN3O3/c1-2-14(22)19-3-5-20(6-4-19)15(23)9-18-12-8-11(17)10(16)7-13(12)21/h2,7-8,18,21H,1,3-6,9H2 Isomeric SMILES C=CC(=O)N1CCN(CC1)C(=O)CNC2=CC(=C(C=C2O)Cl)I Molecular Weight 449.67 Reaxy-Rn 24068987 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24068987&ln=
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 Alpha amino acid amides Alternative Parents o-Aminophenols Phenylalkylamines P-iodophenols M-chlorophenols Aniline and substituted anilines Secondary alkylarylamines Iodobenzenes Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Piperazines Aryl iodides Aryl chlorides Tertiary carboxylic acid amides Acrylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organoiodides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Alpha-amino acid amide - O-aminophenol - Phenylalkylamine - Aniline or substituted anilines - 4-iodophenol - 3-chlorophenol - 3-halophenol - 4-halophenol - Aminophenol - 1-hydroxy-2-unsubstituted benzenoid - Secondary aliphatic/aromatic amine - Phenol - Iodobenzene - Halobenzene - Chlorobenzene - Benzenoid - Piperazine - 1,4-diazinane - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Aryl chloride - Acrylic acid or derivatives - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen compound - Carbonyl group - Amine - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. 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 Solubility (25°C) In vitro DMSO: 89 mg/mL (197.92 mM); Water: Insoluble; Ethanol: Insoluble; DMSO(mg / mL) Max Solubility 27 DMSO(mM) Max Solubility 60.04403229 Water(mg / mL) Max Solubility ＜1 Molecular Weight 449.670 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 4 Exact Mass 449 Da Monoisotopic Mass 449 Da Topological Polar Surface Area 72.900 Ų Heavy Atom Count 23 Formal Charge 0 Complexity 457.000 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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