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 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Dabrafenib (GSK2118436) is a mutant BRAFV600 specific inhibitor with IC50 of 0.8 nM in cell-free assays, with 4- and 6-fold less potency against B-Raf(wt) and c-Raf, respectively.
A potent and selective inhibitor of Raf-B protein kinase carrying V600E mutation
| Pubchem Sid | 504770348 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504770348 |
| Canonical Smiles | CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F |
| IUPAC Name | N-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide |
| InChIKey | BFSMGDJOXZAERB-UHFFFAOYSA-N |
| INCHI | 1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29) |
| Isomeric SMILES | CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F |
| Molecular Weight | 519.56 |
| Reaxy-Rn | 19689971 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19689971&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Sulfanilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sulfanilides |
| Alternative Parents | Benzenesulfonamides Benzenesulfonyl compounds 2,4,5-trisubstituted thiazoles Fluorobenzenes Aminopyrimidines and derivatives Organosulfonamides Aryl fluorides Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - 2,4,5-trisubstituted 1,3-thiazole - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Pyrimidine - Organosulfonic acid amide - Heteroaromatic compound - Azole - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Thiazole - Sulfonyl - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Primary amine - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1. |
| External Descriptors | organofluorine compound - aminopyrimidine - sulfonamide - 1,3-thiazole |
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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 | May 11, 2026 | D127289 | |
| Certificate of Analysis | May 11, 2026 | D127289 | |
| Certificate of Analysis | May 11, 2026 | D127289 | |
| Certificate of Analysis | May 11, 2026 | D127289 | |
| Certificate of Analysis | Oct 14, 2025 | D127289 | |
| Certificate of Analysis | Jul 28, 2025 | D127289 |
| Solubility | DMSO 30 mg/mL Water <1 mg/mL Ethanol <1 mg/mL |
|---|---|
| Refractive Index | 1.63 |
| Boil Point(°C) | ~653.7 °C at 760 mmHg |
| Molecular Weight | 519.600 g/mol |
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 6 |
| Exact Mass | 519.101 Da |
| Monoisotopic Mass | 519.101 Da |
| Topological Polar Surface Area | 147.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 817.000 |
| 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. Yunsheng Ran, Chujiao Hu, Junzhao Wan, Qian Kang, Ruixian Zhou, Ping Liu, Dan Ma, Jianta Wang, Lei Tang. (2023) Integrated investigation and experimental validation of PPARG as an oncogenic driver: implications for prognostic assessment and therapeutic targeting in hepatocellular carcinoma. Frontiers in Pharmacology, [PMID:38044948] [10.3389/fphar.2023.1298341] |
| 2. Jinling Cui, Mingzhu Yan, Xiaoyi Liu, Shutao Yin, Shangyun Lu, Lihong Fan, Hongbo Hu. (2019) Inorganic Selenium Induces Nonapoptotic Programmed Cell Death in PC-3 Prostate Cancer Cells Associated with Inhibition of Glycolysis. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:31513389] [10.1021/acs.jafc.9b03875] |
| 3. Jie Liang, Dong-Kun Zhao, Hao-Ming Yin, Tai-Yu Tian, Jian-Kang Kang, Song Shen, Jun Wang. (2025) Combinatorial screening of nanomedicines in patient-derived cancer organoids facilitates efficient cancer therapy. Nano Today, [PMID:] [10.1016/j.nantod.2025.102665] |
| 4. QIAN HU, MENGYAO WANG, JINJIN WANG, YALI TAO, TING NIU. (2024) Development of a cell adhesion-based prognostic model for multiple myeloma: Insights into chemotherapy response and potential reversal of adhesion effects. ONCOLOGY RESEARCH, [PMID:38560563] [10.32604/or.2023.043647] |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →