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Moligand™,≥98% Moligand™ 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
BX517 BX517 is a potent and selective inhibitor of PDK1 that binds to the ATP binding pocket of the protein (IC50 = 6 nM).
Targets
cAKT2 ; PDX1 5 nM; 6 nM
In vitro
BX-517 blocks activation of Akt in tumor cells.
In vivo
BX517 has poor pharmaceutical properties including short half-life (0.4 h in rat), low metabolic stability, and poor solubility.
| Sonrisas canónicas | CC(=C1C2=C(C=CC(=C2)NC(=O)N)NC1=O)C3=CC=CN3 |
|---|---|
| IUPAC Name | [(3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)ethylidene]-1H-indol-5-yl]urea |
| InChIKey | DFURSNCTQGJRRX-JYRVWZFOSA-N |
| INCHI | 1S/C15H14N4O2/c1-8(11-3-2-6-17-11)13-10-7-9(18-15(16)21)4-5-12(10)19-14(13)20/h2-7,17H,1H3,(H,19,20)(H3,16,18,21)/b13-8- |
| Isómeros SMILES | C/C(=C/1\C2=C(C=CC(=C2)NC(=O)N)NC1=O)/C3=CC=CN3 |
| Peso molecular | 282.30 |
| Reaxy-Rn | 11692363 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11692363&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 | Indolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolines |
| Alternative Parents | Substituted pyrroles Benzenoids Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dihydroindole - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Carboxamide group - Lactam - Secondary carboxylic acid amide - Urea - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole. |
| External Descriptors | Not available |
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| Solubilidad | Solubility (25°C) In vitro DMSO: 56 mg/mL (198.37 mM); Water: Insoluble; Ethanol: Insoluble; |
|---|---|
| Peso molecular | 282.300 g/mol |
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 282.112 Da |
| Monoisotopic Mass | 282.112 Da |
| Topological Polar Surface Area | 100.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 488.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
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