Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥97% 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.
Product description:
GDC-0994 is an effective and orally available ERK1/2 inhibitor (IC50: 1.1/0.3 nM).
| ALogP | 2 |
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| Pubchem Sid | 488202291 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488202291 |
| Canonical Smiles | CN1C(=CC=N1)NC2=NC=CC(=N2)C3=CC(=O)N(C=C3)C(CO)C4=CC(=C(C=C4)Cl)F |
| IUPAC Name | 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one |
| InChIKey | RZUOCXOYPYGSKL-GOSISDBHSA-N |
| INCHI | 1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1 |
| Isomeric SMILES | CN1C(=CC=N1)NC2=NC=CC(=N2)C3=CC(=O)N(C=C3)[C@H](CO)C4=CC(=C(C=C4)Cl)F |
| PubChem CID | 71727581 |
| Molecular Weight | 440.86 |
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 | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminopyrimidines and derivatives |
| Alternative Parents | Pyridinones Chlorobenzenes Dihydropyridines Fluorobenzenes Aryl chlorides Aryl fluorides Pyrazoles Heteroaromatic compounds Lactams Azacyclic compounds Secondary amines Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organopnictogen compounds Primary alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Halobenzene - Fluorobenzene - Dihydropyridine - Pyridinone - Chlorobenzene - Aminopyrimidine - Monocyclic benzene moiety - Benzenoid - Hydropyridine - Pyridine - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Azole - Pyrazole - Lactam - Azacycle - Secondary amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Amine - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| 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 | Jan 21, 2026 | R174276 | |
| Certificate of Analysis | Jan 21, 2026 | R174276 | |
| Certificate of Analysis | Feb 08, 2023 | R174276 | |
| Certificate of Analysis | Feb 08, 2023 | R174276 | |
| Certificate of Analysis | Feb 08, 2023 | R174276 | |
| Certificate of Analysis | Feb 08, 2023 | R174276 | |
| Certificate of Analysis | Feb 08, 2023 | R174276 | |
| Certificate of Analysis | Feb 08, 2023 | R174276 |
| Solubility | Ethanol:81 mg/mL (183.7 mM) DMSO:81 mg/mL (183.7 mM) |
|---|---|
| Molecular Weight | 440.900 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 440.116 Da |
| Monoisotopic Mass | 440.116 Da |
| Topological Polar Surface Area | 96.200 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 709.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →