≥98% 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
KY1220 KY1220 is a small molecule that destabilizes both β-catenin and Ras , via targeting the Wnt/β-catenin pathway with IC50 of 2.1 μM in HEK293 reporter cells.
Targets
Ras ; Wnt/β-catenin (HEK293 reporter cells-based assay) ; 2.1 μM
| ALogP | 2.892 |
|---|---|
| hba_count | 1 |
| Recuento HBD | 2 |
| Enlace rotable | 3 |
| Pubchem Sid | 504763989 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763989 |
| Sonrisas canónicas | C1=CN(C(=C1)C=C2C(=O)NC(=S)N2)C3=CC=C(C=C3)[N+](=O)[O-] |
| IUPAC Name | (5Z)-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one |
| InChIKey | FMLUAKSJMUPACD-WQLSENKSSA-N |
| INCHI | 1S/C14H10N4O3S/c19-13-12(15-14(22)16-13)8-11-2-1-7-17(11)9-3-5-10(6-4-9)18(20)21/h1-8H,(H2,15,16,19,22)/b12-8- |
| Isómeros SMILES | C1=CN(C(=C1)/C=C\2/C(=O)NC(=S)N2)C3=CC=C(C=C3)[N+](=O)[O-] |
| Peso molecular | 314.32 |
| Reaxy-Rn | 30137267 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30137267&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 | Pyrroles |
| Subclass | Substituted pyrroles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrroles |
| Alternative Parents | Alpha amino acids and derivatives Nitrobenzenes Nitroaromatic compounds Imidazolidinones Heteroaromatic compounds Thioureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1-phenylpyrrole - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Imidazolidinone - Benzenoid - Imidazolidine - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Thiourea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organonitrogen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic zwitterion - Organic salt - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 H2301594 | Certificate of Analysis | May 11, 2026 | K412399 |
| H2301598 | Certificate of Analysis | May 11, 2026 | K412399 |
| H2301603 | Certificate of Analysis | May 11, 2026 | K412399 |
| H2301604 | Certificate of Analysis | May 11, 2026 | K412399 |
| H2301605 | Certificate of Analysis | May 11, 2026 | K412399 |
| H2301607 | Certificate of Analysis | May 11, 2026 | K412399 |
| H2301608 | Certificate of Analysis | May 11, 2026 | K412399 |
| H2301609 | Certificate of Analysis | May 11, 2026 | K412399 |
| H2301611 | Certificate of Analysis | May 11, 2026 | K412399 |
| H2301612 | Certificate of Analysis | May 11, 2026 | K412399 |
| H2301613 | Certificate of Analysis | May 11, 2026 | K412399 |
| H2301618 | Certificate of Analysis | May 11, 2026 | K412399 |
| Solubilidad | Solubility (25°C) In vitro DMSO: 63 mg/mL (200.43 mM); Water: Insoluble; Ethanol: Insoluble; |
|---|---|
| DMSO (mg/ml) Solubilidad máxima | 63 |
| DMSO (mM) Solubilidad máxima | 200.432680071265 |
| Agua (mg/ml) Solubilidad máxima | ＜1 |
| Peso molecular | 314.320 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 314.047 Da |
| Monoisotopic Mass | 314.047 Da |
| Topological Polar Surface Area | 124.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 523.000 |
| 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 |
