Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C,Argon charged 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.
Product description:
TBCA is a highly selective CK2 (casein kinase II) inhibitor with an IC50 of 110 nM and a Ki of 77 nM. TBCA shows selectivity for CK2 over CK1, DYRK1A and a panel of 27 other kinases.
| Sonrisas canónicas | C1=C(C(=C(C(=C1Br)Br)Br)Br)C=CC(=O)O |
|---|---|
| IUPAC Name | (E)-3-(2,3,4,5-tetrabromophenyl)prop-2-enoic acid |
| InChIKey | SVJQCVOKYJWUBC-OWOJBTEDSA-N |
| INCHI | 1S/C9H4Br4O2/c10-5-3-4(1-2-6(14)15)7(11)9(13)8(5)12/h1-3H,(H,14,15)/b2-1+ |
| Isómeros SMILES | C1=C(C(=C(C(=C1Br)Br)Br)Br)/C=C/C(=O)O |
| WGK Alemania | 3 |
| PubChem CID | 16760346 |
| Peso molecular | 463.74 |
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 | Phenylpropanoids and polyketides |
| Clase | Cinnamic acids and derivatives |
| Subclass | Cinnamic acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cinnamic acids |
| Alternative Parents | Styrenes Bromobenzenes Aryl bromides Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Cinnamic acid - Styrene - Bromobenzene - Halobenzene - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Benzenoid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid. |
| External Descriptors | Not available |
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| Solubilidad | Solvent:DMSO, Max Conc. mg/mL: 46.37, Max Conc. mM: 100 |
|---|---|
| Sensibilidad | Light sensitive |
| Peso molecular | 463.740 g/mol |
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 463.69 Da |
| Monoisotopic Mass | 459.694 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 269.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →