≥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.
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 |
| HBD 수 | 3 |
| 회전 가능한 결합 | 3 |
| Pubchem Sid | 504768958 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504768958 |
| 정식 스마일 | 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) |
| 이성체 SMILES | C1=CC(=CC(=C1)O)CNC(=O)C2=CC3=C(N2)C=CC(=C3)F |
| 분자량 | 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 |
| 분류 | 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 |
| 설명 | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 날짜 | 항목 |
|---|---|---|---|
 G2206304 | Certificate of Analysis | Apr 03, 2025 | K413487 |
| G2206315 | Certificate of Analysis | Apr 03, 2025 | K413487 |
| G2206316 | Certificate of Analysis | Apr 03, 2025 | K413487 |
| G2206437 | Certificate of Analysis | Apr 03, 2025 | K413487 |
| 용해성 | Solubility (25°C) In vitro DMSO: 57 mg/mL (200.49 mM); Ethanol: 29 mg/mL (102.0 mM); Water: Insoluble; |
|---|---|
| DMSO(mg/mL) 최대 용해도 | 57 |
| DMSO(mM) 최대 용해도 | 200.499489957438 |
| 물(mg/mL) 최대 용해도 | ＜1 |
| 분자량 | 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 |
