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
ERK5-IN-2 is an orally active, sub-micromolar, selectiveERK5inhibitor with IC50 of 0.82 μM and 3 μM for ERK5 and ERK5 MEF2D, respectively.
Targets
ERK5 (Cell-free assay); ERK5 MEF2D (Cell-free assay) 0.82 μM; 3 μM
| ALogP | 3.207 |
|---|---|
| hba_count | 3 |
| HBD Count | 2 |
| Rotatable Bond | 4 |
| Canonical Smiles | C1=CC(=C(C(=C1)Br)C(=O)C2=CNC(=C2)C(=O)NC3=CN=CC=C3)F |
|---|---|
| IUPAC Name | 4-(2-bromo-6-fluorobenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide |
| InChIKey | ATKCERYALDNMPL-UHFFFAOYSA-N |
| INCHI | 1S/C17H11BrFN3O2/c18-12-4-1-5-13(19)15(12)16(23)10-7-14(21-8-10)17(24)22-11-3-2-6-20-9-11/h1-9,21H,(H,22,24) |
| Isomeric SMILES | C1=CC(=C(C(=C1)Br)C(=O)C2=CNC(=C2)C(=O)NC3=CN=CC=C3)F |
| Molecular Weight | 388.19 |
| Reaxy-Rn | 29342528 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29342528&ln= |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Aryl-phenylketones |
| Alternative Parents | Pyrrole carboxamides Benzoyl derivatives 2-heteroaryl carboxamides Fluorobenzenes Bromobenzenes Substituted pyrroles Pyridines and derivatives Aryl fluorides Aryl bromides Vinylogous halides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-phenylketone - 2-heteroaryl carboxamide - Pyrrole-2-carboxylic acid or derivatives - Pyrrole-2-carboxamide - Benzoyl - Halobenzene - Fluorobenzene - Bromobenzene - Benzenoid - Substituted pyrrole - Pyridine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl bromide - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. |
| External Descriptors | Not available |
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| DMSO(mg / mL) Max Solubility | 78 |
|---|---|
| DMSO(mM) Max Solubility | 200.932533037945 |
| Water(mg / mL) Max Solubility | ＜1 |
| Molecular Weight | 388.200 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 387.002 Da |
| Monoisotopic Mass | 387.002 Da |
| Topological Polar Surface Area | 74.900 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 479.000 |
| 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 |
