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.
Information
VU6015929 VU6015929 is a selective Discoidin Domain Receptor 1/2 (DDR1/2) inhibitor with IC50 of 4.67 nM and 7.39 nM for DDR1 and DDR2, respectively. VU6015929 potently inhibits collagen-IV production.
Targets
DDR1 (Cell-free assay); DDR2 (Cell-free assay) 4.67 nM; 7.39 nM
| Canonical Smiles | CN1C=CC(=N1)C2=CN=CC(=C2)CNC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)OC(F)(F)F)F |
|---|---|
| IUPAC Name | 4-fluoro-3-[[5-(1-methylpyrazol-3-yl)pyridin-3-yl]methylamino]-N-[3-(trifluoromethoxy)phenyl]benzamide |
| InChIKey | IZKVIUJIUTXIRH-UHFFFAOYSA-N |
| INCHI | 1S/C24H19F4N5O2/c1-33-8-7-21(32-33)17-9-15(12-29-14-17)13-30-22-10-16(5-6-20(22)25)23(34)31-18-3-2-4-19(11-18)35-24(26,27)28/h2-12,14,30H,13H2,1H3,(H,31,34) |
| Isomeric SMILES | CN1C=CC(=N1)C2=CN=CC(=C2)CNC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)OC(F)(F)F)F |
| PubChem CID | 145925694 |
| Molecular Weight | 485.43 |
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 | Aromatic anilides |
| Direct Parent | Benzanilides |
| Alternative Parents | 4-halobenzoic acids and derivatives Benzamides Phenylalkylamines Phenoxy compounds Phenol ethers Benzoyl derivatives Secondary alkylarylamines Fluorobenzenes Pyridines and derivatives N-acyl amines Heteroaromatic compounds Azoles Trihalomethanes Amino acids and derivatives Vinyl fluorides Propargyl-type 1,3-dipolar organic compounds Hydrazones Fluoroalkenes Dialkylamines Carboxylic acid amides Azacyclic compounds Aldimines Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzanilide - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Phenylalkylamine - Phenol ether - Benzoyl - Secondary aliphatic/aromatic amine - Halobenzene - Fluorobenzene - Pyridine - N-acyl-amine - Heteroaromatic compound - Azole - Trihalomethane - Carboxamide group - Amino acid or derivatives - Azacycle - Fluoroalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl fluoride - Secondary amine - Hydrazone - Secondary aliphatic amine - Carboxylic acid derivative - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Imine - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| 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 |
|---|
| Solubility | Solubility (25°C) In vitro DMSO: 98 mg/mL (201.88 mM); Ethanol: 12 mg/mL (24.72 mM); Water: Insoluble; |
|---|---|
| Molecular Weight | 485.400 g/mol |
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 485.147 Da |
| Monoisotopic Mass | 485.147 Da |
| Topological Polar Surface Area | 81.100 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 699.000 |
| 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 |
