Determine the necessary mass, volume, or concentration for preparing a solution.
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Information
BI-3812 BI-3812 is a highly potent and efficacious BCL6 inhibitor probe compound with an IC50 less than 3 nM.
Targets
BCL6 (Cell-free assay) 3 nM
| ALogP | 1.733 |
|---|---|
| hba_count | 7 |
| HBD Count | 2 |
| Rotatable Bond | 8 |
| Pubchem Sid | 504773179 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504773179 |
| Canonical Smiles | CNC(=O)COC1=CC2=CC(=CC(=C2N(C1=O)C)OC)NC3=NC(=NC=C3Cl)N4CCC(CC4)C(=O)N(C)C |
| IUPAC Name | 1-[5-chloro-4-[[8-methoxy-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide |
| InChIKey | XCGYXEVLQIIEJH-UHFFFAOYSA-N |
| INCHI | 1S/C26H32ClN7O5/c1-28-21(35)14-39-20-11-16-10-17(12-19(38-5)22(16)33(4)25(20)37)30-23-18(27)13-29-26(31-23)34-8-6-15(7-9-34)24(36)32(2)3/h10-13,15H,6-9,14H2,1-5H3,(H,28,35)(H,29,30,31) |
| Isomeric SMILES | CNC(=O)COC1=CC2=CC(=CC(=C2N(C1=O)C)OC)NC3=NC(=NC=C3Cl)N4CCC(CC4)C(=O)N(C)C |
| Molecular Weight | 558.03 |
| Reaxy-Rn | 33277816 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33277816&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.
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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 | Mar 11, 2026 | B414144 | |
| Certificate of Analysis | Mar 11, 2026 | B414144 | |
| Certificate of Analysis | Mar 11, 2026 | B414144 | |
| Certificate of Analysis | Mar 11, 2026 | B414144 | |
| Certificate of Analysis | Mar 11, 2026 | B414144 | |
| Certificate of Analysis | Mar 11, 2026 | B414144 | |
| Certificate of Analysis | Mar 11, 2026 | B414144 | |
| Certificate of Analysis | Mar 11, 2026 | B414144 | |
| Certificate of Analysis | Mar 11, 2026 | B414144 | |
| Certificate of Analysis | Mar 11, 2026 | B414144 | |
| Certificate of Analysis | Mar 11, 2026 | B414144 | |
| Certificate of Analysis | Mar 11, 2026 | B414144 |
| Solubility | Solubility (25°C) In vitro DMSO: 25 mg/mL (44.8 mM); Water: Insoluble; Ethanol: Insoluble; |
|---|---|
| DMSO(mg / mL) Max Solubility | 25 |
| DMSO(mM) Max Solubility | 44.8004587566977 |
| Water(mg / mL) Max Solubility | <1 |
| Molecular Weight | 558.000 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 557.215 Da |
| Monoisotopic Mass | 557.215 Da |
| Topological Polar Surface Area | 129.000 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 928.000 |
| 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 |