Determine the necessary mass, volume, or concentration for preparing a solution.
≥99% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
BCL6-IN-5 is a potent BCL6 inhibitor exacted from patent WO2018215801A1, example 1n, has a pIC 50 of 5.82.
Form:Solid
| Canonical Smiles | CC(C)(CCN1C2=C(C=CC(=C2)NC3=NC(=NC=C3Cl)Cl)N(C1=O)C)O |
|---|---|
| IUPAC Name | 5-[(2,5-dichloropyrimidin-4-yl)amino]-3-(3-hydroxy-3-methylbutyl)-1-methylbenzimidazol-2-one |
| InChIKey | NKMQWLPBEJJYCN-UHFFFAOYSA-N |
| INCHI | 1S/C17H19Cl2N5O2/c1-17(2,26)6-7-24-13-8-10(4-5-12(13)23(3)16(24)25)21-14-11(18)9-20-15(19)22-14/h4-5,8-9,26H,6-7H2,1-3H3,(H,20,21,22) |
| Isomeric SMILES | CC(C)(CCN1C2=C(C=CC(=C2)NC3=NC(=NC=C3Cl)Cl)N(C1=O)C)O |
| PubChem CID | 135386935 |
| Molecular Weight | 396.27 |
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 →| Solubility | DMSO : 20.83 mg/mL (52.57 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 396.300 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 395.092 Da |
| Monoisotopic Mass | 395.092 Da |
| Topological Polar Surface Area | 81.600 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 523.000 |
| 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 |