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
KX1-004 KX1-004 is a non-ATP competitive inhibitor of Src protein tyrosine kinase (Src-PTK; IC50 = 40 µM).
Targets
Src-PTK 40 μM
| ALogP | 3.17 |
|---|---|
| hba_count | 1 |
| Recuento HBD | 3 |
| Enlace rotable | 3 |
| Sonrisas canónicas | C1=CC(=CC(=C1)O)CNC(=O)C2=CC3=C(N2)C=CC(=C3)F |
|---|---|
| IUPAC Name | 5-fluoro-N-[(3-hydroxyphenyl)methyl]-1H-indole-2-carboxamide |
| InChIKey | TUIHIKXCMCXXJG-UHFFFAOYSA-N |
| INCHI | 1S/C16H13FN2O2/c17-12-4-5-14-11(7-12)8-15(19-14)16(21)18-9-10-2-1-3-13(20)6-10/h1-8,19-20H,9H2,(H,18,21) |
| Isómeros SMILES | C1=CC(=CC(=C1)O)CNC(=O)C2=CC3=C(N2)C=CC(=C3)F |
| Peso molecular | 284.29 |
| Reaxy-Rn | 11835199 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11835199&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 | Organoheterocyclic compounds |
| Clase | Indoles and derivatives |
| Subclass | Indolecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolecarboxamides and derivatives |
| Alternative Parents | Indoles Pyrrole carboxamides 2-heteroaryl carboxamides 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Substituted pyrroles Aryl fluorides Benzene and substituted derivatives Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organic oxides Organofluorides Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolecarboxamide derivative - Indole - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Aryl halide - Aryl fluoride - Heteroaromatic compound - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole. |
| External Descriptors | Not available |
| DMSO (mg/ml) Solubilidad máxima | 57 |
|---|---|
| DMSO (mM) Solubilidad máxima | 200.499489957438 |
| Agua (mg/ml) Solubilidad máxima | ＜1 |
| Peso molecular | 284.280 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 284.096 Da |
| Monoisotopic Mass | 284.096 Da |
| Topological Polar Surface Area | 65.099 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 379.000 |
| 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 |
