≥99% 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.
DDR Inhibitor is a potent discoidin domain receptor (DDR) inhibitor, with an IC 50 of 3.3 nM for DDR2 , and shows 53% inhibition on DDR1 at 1.5 nM.
In Vitro
DDR Inhibitor (Example 6) is a potent DDR inhibitor, with an IC 50 of 3.3 nM for DDR2, and shows 53% inhibition on DDR1 at 1.5 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:IC50: 3.3 nM (DDR2), IC53: 1.5 nM (DDR1)
| Canonical Smiles | CC1=C(C=C(C=C1)CNC(=O)NC2=CC(=CC=C2)F)NC(=O)C3=CN=C4N3C=CC=C4 |
|---|---|
| IUPAC Name | N-[5-[[(3-fluorophenyl)carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide |
| InChIKey | ZPVUIOVIUFJGHO-UHFFFAOYSA-N |
| INCHI | 1S/C23H20FN5O2/c1-15-8-9-16(13-26-23(31)27-18-6-4-5-17(24)12-18)11-19(15)28-22(30)20-14-25-21-7-2-3-10-29(20)21/h2-12,14H,13H2,1H3,(H,28,30)(H2,26,27,31) |
| Isomeric SMILES | CC1=C(C=C(C=C1)CNC(=O)NC2=CC(=CC=C2)F)NC(=O)C3=CN=C4N3C=CC=C4 |
| PubChem CID | 86764579 |
| Molecular Weight | 417.44 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic anilides |
| Alternative Parents | N-phenylureas Imidazo[1,2-a]pyridines Imidazopyridines Pyridinecarboxamides 2-heteroaryl carboxamides Carbonylimidazoles Fluorobenzenes Toluenes Aryl fluorides N-substituted imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Ureas Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aromatic anilide - N-phenylurea - Imidazopyridine - Pyridinecarboxamide - Imidazo[1,2-a]pyridine - 2-heteroaryl carboxamide - Imidazole-4-carbonyl group - Fluorobenzene - Toluene - Halobenzene - Pyridine - N-substituted imidazole - Aryl halide - Aryl fluoride - Azole - Heteroaromatic compound - Imidazole - Carboxamide group - Urea - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group. |
| External Descriptors | Not available |
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| Solubility | DMSO : 65 mg/mL (155.71 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 417.400 g/mol |
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 417.16 Da |
| Monoisotopic Mass | 417.16 Da |
| Topological Polar Surface Area | 87.500 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 635.000 |
| 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 |
