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 |
|---|
| Pubchem Sid | 488195888 |
|---|---|
| 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.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Aryl-phenylketones |
| Alternative Parents | Pyrimidinecarboxylic acids and derivatives Anisoles Benzoyl derivatives Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Aminopyrimidines and derivatives Secondary alkylarylamines Fluorobenzenes Aryl fluorides Piperidines Imidolactams Organosulfonamides Organic sulfonamides Sulfonyls Heteroaromatic compounds Vinylogous amides Vinylogous halides Azacyclic compounds Hydrocarbon derivatives Primary amines Organic oxides Organofluorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-phenylketone - Pyrimidine-5-carboxylic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Imidolactam - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid amide - Pyrimidine - Aryl fluoride - Piperidine - Aryl halide - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Azacycle - Secondary amine - Organoheterocyclic compound - Ether - Amine - Organopnictogen compound - Organosulfur compound - Organic oxide - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. |
| External Descriptors | Not available |
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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 →