Determine the necessary mass, volume, or concentration for preparing a solution.
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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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Vemurafenib (PLX4032, RG7204) is a novel and potent inhibitor of B-Raf V600E with IC50 of 31 nM.
A novel and potent inhibitor of B-RAFV600E with IC50 of 31 nM.
| ALogP | 5 |
|---|
| Pubchem Sid | 504770186 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504770186 |
| Canonical Smiles | CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F |
| IUPAC Name | N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide |
| InChIKey | GPXBXXGIAQBQNI-UHFFFAOYSA-N |
| INCHI | 1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28) |
| Isomeric SMILES | CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F |
| PubChem CID | 42611257 |
| Molecular Weight | 489.92 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Aryl-phenylketones |
| Alternative Parents | Phenylpyridines Sulfanilides Pyrrolopyridines Benzoyl derivatives Chlorobenzenes Fluorobenzenes Organosulfonamides Organic sulfonamides Aryl chlorides Aryl fluorides Substituted pyrroles Heteroaromatic compounds Aminosulfonyl compounds Vinylogous halides Vinylogous amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aryl-phenylketone - 3-phenylpyridine - Sulfanilide - Pyrrolopyridine - Benzoyl - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Aryl fluoride - Organosulfonic acid amide - Organic sulfonic acid amide - Substituted pyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Aminosulfonyl compound - Pyrrole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Organoheterocyclic compound - Organofluoride - Organochloride - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. |
| External Descriptors | organofluorine compound - sulfonamide - organochlorine compound - pyrrolopyridine |
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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 |
|---|---|---|---|
| Certificate of Analysis | Oct 11, 2025 | V127521 | |
| Certificate of Analysis | Oct 11, 2025 | V127521 | |
| Certificate of Analysis | Oct 11, 2025 | V127521 | |
| Certificate of Analysis | Oct 11, 2025 | V127521 | |
| Certificate of Analysis | Oct 11, 2025 | V127521 | |
| Certificate of Analysis | Oct 11, 2025 | V127521 | |
| Certificate of Analysis | Oct 11, 2025 | V127521 | |
| Certificate of Analysis | Sep 16, 2025 | V127521 | |
| Certificate of Analysis | Oct 23, 2024 | V127521 |
| Solubility | Soluble in DMSO (100 mg/mL), and methanol. Insoluble in ethanol, and water |
|---|---|
| Melt Point(°C) | 260-262°C |
| Molecular Weight | 489.900 g/mol |
| XLogP3 | 5.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 489.073 Da |
| Monoisotopic Mass | 489.073 Da |
| Topological Polar Surface Area | 100.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 790.000 |
| 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 |
| 1. Fangjun Chen, Wenda Chen, Zhenxin Wang, Yingfei Peng, Beili Wang, Baishen Pan, Wei Guo. (2023) Development and clinical application of a liquid chromatography-tandem mass spectrometry-based assay to quantify eight tyrosine kinase inhibitors in human plasma. Journal of Mass Spectrometry and Advances in the Clinical Lab, [PMID:37234251] [10.1016/j.jmsacl.2023.05.001] |
| 2. Zhou Bin, Sha Shanshan, Tao Juan, Li Jun, Shen Chen, Zhu Jinjin, Tan Lulu, Dong Liyun, Huang Changzheng. (2022) The expression pattern of pyroptosis-related genes predicts the prognosis and drug response of melanoma. Scientific Reports, 12 (1): (1-13). [PMID:36513682] [10.1038/s41598-022-24879-y] |
| 3. Lili Zou, Weiping Ding, Yuanyuan Zhang, Shaohui Cheng, Fenfen Li, Renquan Ruan, Pengfei Wei, Bensheng Qiu. (2018) Peptide-modified vemurafenib-loaded liposomes for targeted inhibition of melanoma via the skin. BIOMATERIALS, [PMID:30096444] [10.1016/j.biomaterials.2018.08.013] |
| 4. Chen Xue, Zhou Xing-Yue, Lan Cai, Fu Hai-Jun, Li Zhi-Chao, Chen Meng-Yi, Wen Yong-Ping, Yu Lu, Qin Da-Lian, Wu An-Guo, Wu Jian-Ming, Zhou Xiao-Gang. (2025) Araloside A Induces Raf/MEK/ERK-Dependent Autophagy to Mitigate Alzheimer’s and Parkinson’s Pathology in Cellular and C. elegans Models. MOLECULAR NEUROBIOLOGY, [PMID:40742404] [10.1007/s12035-025-05242-4] |
| 5. Jiaoquan Chen, Hui Zou, Bihua Liang, Yeqing Gong, Shaoyin Ma, Runxiang Li, Jiacong Zeng, Chao Bi, Huilan Zhu. (2025) Hypoxia-elicited exosomal HIF-1α promotes drug resistance of melanoma through modulating SLC7A11 ubiquitination. CELLULAR SIGNALLING, [PMID:40588014] [10.1016/j.cellsig.2025.111939] |
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