≥98%(HPLC) 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.
| Sonrisas canónicas | C1CN(CCN1C2=NC=CC(=N2)C3=CC(=C(C=C3)F)F)C(=O)NC4=NN=CC=C4 |
|---|---|
| IUPAC Name | 4-[4-(3,4-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide |
| InChIKey | JCWVFSJNIBAGQN-UHFFFAOYSA-N |
| INCHI | 1S/C19H17F2N7O/c20-14-4-3-13(12-15(14)21)16-5-7-22-18(24-16)27-8-10-28(11-9-27)19(29)25-17-2-1-6-23-26-17/h1-7,12H,8-11H2,(H,25,26,29) |
| Isómeros SMILES | C1CN(CCN1C2=NC=CC(=N2)C3=CC(=C(C=C3)F)F)C(=O)NC4=NN=CC=C4 |
| PubChem CID | 57749996 |
| Peso molecular | 397.38 |
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 |
| Clase | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrimidines |
| Alternative Parents | N-arylpiperazines Piperazine carboxamides Dialkylarylamines Fluorobenzenes Aminopyrimidines and derivatives Pyridazines and derivatives Imidolactams Aryl fluorides Heteroaromatic compounds Ureas Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 4-phenylpyrimidine - N-arylpiperazine - Piperazine-1-carboxamide - Dialkylarylamine - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyridazine - Benzenoid - Imidolactam - Heteroaromatic compound - Tertiary amine - Urea - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. 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 |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Solubilidad | Solvent:DMSO, Max Conc. mg/mL: 3.97, Max Conc. mM: 10; Solvent:1eq. HCl, Max Conc. mg/mL: 7.95, Max Conc. mM: 20 |
|---|---|
| Peso molecular | 397.400 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 397.146 Da |
| Monoisotopic Mass | 397.146 Da |
| Topological Polar Surface Area | 87.100 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 549.000 |
| 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 |
