≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
SJ 172550 is an MDMX inhibitor which reversibly binds MDMX and inhibits MDMX-p53 interaction in cell cultures. Additionaly reported to induce apoptosis via liberation of p53.
| Canonical Smiles | CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)Cl)OCC(=O)OC |
|---|---|
| IUPAC Name | methyl 2-[2-chloro-6-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetate |
| InChIKey | RKKFQJXGAQWHBZ-LICLKQGHSA-N |
| INCHI | 1S/C22H21ClN2O5/c1-4-29-19-12-15(11-18(23)21(19)30-13-20(26)28-3)10-17-14(2)24-25(22(17)27)16-8-6-5-7-9-16/h5-12H,4,13H2,1-3H3/b17-10+ |
| Isomeric SMILES | CCOC1=C(C(=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)Cl)OCC(=O)OC |
| WGK Germany | 3 |
| PubChem CID | 1317464 |
| Molecular Weight | 428.87 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenoxyacetic acid derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenoxyacetic acid derivatives |
| Alternative Parents | Phenoxy compounds Phenol ethers Chlorobenzenes Alkyl aryl ethers Pyrazolones Aryl chlorides Methyl esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyrazolinone - Methyl ester - Pyrazoline - Carboxylic acid ester - Carboxylic acid derivative - Ether - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2416597 | Certificate of Analysis | May 09, 2024 | S342243 |
| H2416598 | Certificate of Analysis | May 09, 2024 | S342243 |
| H2416599 | Certificate of Analysis | May 09, 2024 | S342243 |
| H2416600 | Certificate of Analysis | May 09, 2024 | S342243 |
| H2416601 | Certificate of Analysis | May 09, 2024 | S342243 |
| H2416602 | Certificate of Analysis | May 09, 2024 | S342243 |
| H2416603 | Certificate of Analysis | May 09, 2024 | S342243 |
| H2416604 | Certificate of Analysis | May 09, 2024 | S342243 |
| Solubility | Soluble in DMSO (≥30 mg/ml ). |
|---|---|
| Refractive Index | n20D1.59 (Predicted) |
| Boil Point(°C) | ~560.8° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 238.65° C (Predicted) |
| Molecular Weight | 428.900 g/mol |
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 428.114 Da |
| Monoisotopic Mass | 428.114 Da |
| Topological Polar Surface Area | 77.400 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 689.000 |
| 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 |
