Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
R547 is a potent ATP-competitive inhibitor of CDK1/2/4 with Ki of 2 nM/3 nM/1 nM. It is less potent to CDK7 and GSK3α/β, while inactive to other kinases. Phase 1.
A selective inhibitor of cell cycle and transcriptional cyclin dependent kinases including Cdk1, Cdk2, and Cdk4.
| ALogP | 2.1 |
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| Pubchem Sid | 488195888 |
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| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488195888 |
| Canonical Smiles | COC1=C(C(=C(C=C1)F)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C |
| IUPAC Name | [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone |
| InChIKey | JRNJNYBQQYBCLE-UHFFFAOYSA-N |
| INCHI | 1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24) |
| Isomeric SMILES | COC1=C(C(=C(C=C1)F)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C |
| PubChem CID | 6918852 |
| Molecular Weight | 441.45 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Apr 01, 2026 | R127351 | |
| Certificate of Analysis | Feb 10, 2026 | R127351 | |
| Certificate of Analysis | Mar 10, 2025 | R127351 | |
| Certificate of Analysis | Jan 15, 2025 | R127351 | |
| Certificate of Analysis | Jan 15, 2025 | R127351 | |
| Certificate of Analysis | Jan 15, 2025 | R127351 | |
| Certificate of Analysis | Jan 15, 2025 | R127351 | |
| Certificate of Analysis | Jan 15, 2025 | R127351 | |
| Certificate of Analysis | Jan 15, 2025 | R127351 | |
| Certificate of Analysis | Jan 15, 2025 | R127351 | |
| Certificate of Analysis | Jan 15, 2025 | R127351 | |
| Certificate of Analysis | Jan 15, 2025 | R127351 | |
| Certificate of Analysis | Jan 15, 2025 | R127351 | |
| Certificate of Analysis | Jan 15, 2025 | R127351 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 44.15, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 441.500 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 6 |
| Exact Mass | 441.128 Da |
| Monoisotopic Mass | 441.128 Da |
| Topological Polar Surface Area | 136.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 701.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →