≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,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.
XRP44X is a Ras-Net (Elk-3) pathway inhibitor (IC|50|= 10-20 nM). Indirectly inhibits Net phosphorylation upstream of Erk1/2 activation. Mediates G2-M cell cycle arrest. Suppresses growth of multiple cell types (IC|50|~ 2 nM). XRP44X inhibits angiogenesis and acts as a microtubule depolymerizing agent by binding to the colchicine-binding site of Tubulin|in vitro|. XRP44X is an inhibitor of Tubulin.
| Canonical Smiles | CC1=NN(C(=C1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C4=CC=CC=C4 |
|---|---|
| IUPAC Name | [4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-2-phenylpyrazol-3-yl)methanone |
| InChIKey | NPHPNBGYPKBDDB-UHFFFAOYSA-N |
| INCHI | 1S/C21H21ClN4O/c1-16-14-20(26(23-16)18-7-3-2-4-8-18)21(27)25-12-10-24(11-13-25)19-9-5-6-17(22)15-19/h2-9,14-15H,10-13H2,1H3 |
| Isomeric SMILES | CC1=NN(C(=C1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C4=CC=CC=C4 |
| WGK Germany | 3 |
| PubChem CID | 10339779 |
| Molecular Weight | 380.88 |
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 |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Phenylpyrazoles Pyrazole-5-carboxamides 2-heteroaryl carboxamides Aniline and substituted anilines Dialkylarylamines Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Phenylpyrazole - 2-heteroaryl carboxamide - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Pyrazole-5-carboxamide - Halobenzene - Chlorobenzene - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrazole - Azole - Carboxamide group - Amino acid or derivatives - Tertiary amine - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2410567 | Certificate of Analysis | Apr 03, 2024 | X342763 |
| G2410568 | Certificate of Analysis | Apr 03, 2024 | X342763 |
| G2410569 | Certificate of Analysis | Apr 03, 2024 | X342763 |
| G2410570 | Certificate of Analysis | Apr 03, 2024 | X342763 |
| G2410577 | Certificate of Analysis | Apr 03, 2024 | X342763 |
| G2410578 | Certificate of Analysis | Apr 03, 2024 | X342763 |
| G2410595 | Certificate of Analysis | Apr 03, 2024 | X342763 |
| G2410622 | Certificate of Analysis | Apr 03, 2024 | X342763 |
| Solubility | Soluble in DMSO (100 mM), and ethanol (50 mM). |
|---|---|
| Refractive Index | n20D1.65 (Predicted) |
| Boil Point(°C) | ~591.1° C at 760 mmHg (Predicted) |
| Molecular Weight | 380.900 g/mol |
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 380.14 Da |
| Monoisotopic Mass | 380.14 Da |
| Topological Polar Surface Area | 41.400 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 504.000 |
| 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 |
