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· · COA & SDS available for every product · Same-day shipping on in-stock items atuveciclib - Moligand™ , Inhibitor of cyclin dependent kinase 9, CAS No.1414943-94-4, Inhibitor of cyclin dependent kinase 9
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
GTPL11687 | 1,3,5-Triazin-2-amine, 4-(4-fluoro-2-methoxyphenyl)-N-(3-((S-methylsulfonimidoyl)methyl)phenyl)-, (+)- | ATUVECICLIB [WHO-DD] | MS-26404 | BAY1143572 | BAY-1143572 | HY-12871B | UNII-63Q7F59W0V | 4-(4-fluoro-2-methoxyphenyl)-N-[3-[(methylsulfo
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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
GTPL11687 | 1, 3, 5-Triazin-2-amine, 4-(4-fluoro-2-methoxyphenyl)-N-(3-((S-methylsulfonimidoyl)methyl)phenyl)-, (+)- | ATUVECICLIB [WHO-DD] | MS-26404 | BAY1143572 | BAY-1143572 | HY-12871B | UNII-63Q7F59W0V | 4-(4-fluoro-2-methoxyphenyl)-N-[3-[(methylsulfo
Specifications & Purity
Moligand™
Mechanism of action
Inhibitor of cyclin dependent kinase 9
Names and Identifiers Canonical Smiles COc1c(ccc(c1)F)c1nc(ncn1)Nc1cccc(c1)C[S@](=N)(=O)C IUPAC Name 4-(4-fluoro-2-methoxyphenyl)-N-[3-[(methylsulfonimidoyl)methyl]phenyl]-1,3,5-triazin-2-amine InChIKey ACWKGTGIJRCOOM-HHHXNRCGSA-N INCHI 1S/C18H18FN5O2S/c1-26-16-9-13(19)6-7-15(16)17-21-11-22-18(24-17)23-14-5-3-4-12(8-14)10-27(2,20)25/h3-9,11,20H,10H2,1-2H3,(H,21,22,23,24)/t27-/m1/s1 Isomeric SMILES COC1=C(C=CC(=C1)F)C2=NC(=NC=N2)NC3=CC=CC(=C3)C[S@](=N)(=O)C Reaxy-Rn 23223926 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23223926&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 Benzenoids Class Phenol ethers Subclass Anisoles Intermediate Tree Nodes Not available Direct Parent Anisoles Alternative Parents Phenoxy compounds Methoxybenzenes Aniline and substituted anilines Fluorobenzenes Aminotriazines Alkyl aryl ethers Aryl fluorides 1,3,5-triazines Heteroaromatic compounds Carbo-azosulfones Secondary amines Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenoxy compound - Methoxybenzene - Aniline or substituted anilines - Anisole - Halobenzene - Fluorobenzene - Aminotriazine - Amino-1,3,5-triazine - Alkyl aryl ether - 1,3,5-triazine - Triazine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Carbo-azosulfone - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. 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 387.400 g/mol XLogP3 4.000 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 6 Exact Mass 387.117 Da Monoisotopic Mass 387.117 Da Topological Polar Surface Area 109.000 Ų Heavy Atom Count 27 Formal Charge 0 Complexity 588.000 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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