10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
application：
SR-3029 is a potent and selective CK1δ and CK1ε inhibitor (IC50 values are 44 and 260 nM, respectively). Exhibits selectivity for CK1δ and CK1ε over a panel of other kinases. Inhibits proliferation of melanoma and breast cancer cell lines in vitro. Also inhibits growth of breast tumor xenografts in mice.
| Canonical Smiles | C1COCCN1C2=NC(=C3C(=N2)N(C=N3)C4=CC(=CC=C4)F)NCC5=NC6=C(N5)C=CC(=C6F)F |
|---|---|
| IUPAC Name | N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-fluorophenyl)-2-morpholin-4-ylpurin-6-amine |
| InChIKey | CEBMEQPREMCWOL-UHFFFAOYSA-N |
| INCHI | 1S/C23H19F3N8O/c24-13-2-1-3-14(10-13)34-12-28-20-21(31-23(32-22(20)34)33-6-8-35-9-7-33)27-11-17-29-16-5-4-15(25)18(26)19(16)30-17/h1-5,10,12H,6-9,11H2,(H,29,30)(H,27,31,32) |
| Isomeric SMILES | C1COCCN1C2=NC(=C3C(=N2)N(C=N3)C4=CC(=CC=C4)F)NCC5=NC6=C(N5)C=CC(=C6F)F |
| PubChem CID | 60196195 |
| Molecular Weight | 480.45 |
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 | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | Phenylimidazoles |
| Alternative Parents | 6-alkylaminopurines Benzimidazoles Dialkylarylamines Secondary alkylarylamines Fluorobenzenes Aminopyrimidines and derivatives N-substituted imidazoles Morpholines Imidolactams Aryl fluorides Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 6-alkylaminopurine - 1-phenylimidazole - 6-aminopurine - Purine - Imidazopyrimidine - Benzimidazole - Dialkylarylamine - Secondary aliphatic/aromatic amine - Halobenzene - Fluorobenzene - Aminopyrimidine - Imidolactam - Benzenoid - Pyrimidine - Oxazinane - N-substituted imidazole - Morpholine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Oxacycle - Azacycle - Secondary amine - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond. |
| External Descriptors | Not available |
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| Molecular Weight | 480.400 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 5 |
| Exact Mass | 480.163 Da |
| Monoisotopic Mass | 480.163 Da |
| Topological Polar Surface Area | 96.800 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 720.000 |
| 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 |
