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· · COA & SDS available for every product · Same-day shipping on in-stock items BAY-320 - Moligand™ , Inhibitor of BUB1 mitotic checkpoint serine/threonine kinase, CAS No.B607944, Inhibitor of BUB1 mitotic checkpoint serine/threonine kinase
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.
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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 Specifications & Purity
Moligand™
Mechanism of action
Inhibitor of BUB1 mitotic checkpoint serine/threonine kinase
Names and Identifiers Canonical Smiles CCOc1cc(F)c(c(c1)F)Cn1nc(c(c1C1CC1)C)c1ncc(c(n1)Nc1ccncc1)OC IUPAC Name 2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine InChIKey WAELFQHBZPHEMW-UHFFFAOYSA-N INCHI 1S/C26H26F2N6O2/c1-4-36-18-11-20(27)19(21(28)12-18)14-34-24(16-5-6-16)15(2)23(33-34)26-30-13-22(35-3)25(32-26)31-17-7-9-29-10-8-17/h7-13,16H,4-6,14H2,1-3H3,(H,29,30,31,32) Isomeric SMILES CCOC1=CC(=C(C(=C1)F)CN2C(=C(C(=N2)C3=NC=C(C(=N3)NC4=CC=NC=C4)OC)C)C5CC5)F PubChem CID 71611462
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 Not available Intermediate Tree Nodes Not available Direct Parent Phenol ethers Alternative Parents Phenoxy compounds Fluorobenzenes Aminopyrimidines and derivatives Aminopyridines and derivatives Alkyl aryl ethers Imidolactams Aryl fluorides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organofluorides Hydrocarbon derivatives Amines Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenoxy compound - Phenol ether - Alkyl aryl ether - Aminopyridine - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Imidolactam - Pyrimidine - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Ether - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. 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) Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 492.500 g/mol XLogP3 4.100 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 9 Rotatable Bond Count 9 Exact Mass 492.209 Da Monoisotopic Mass 492.209 Da Topological Polar Surface Area 87.000 Ų Heavy Atom Count 36 Formal Charge 0 Complexity 687.000 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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