2-Oxoindoline-4-boronic Acid Pinacol Ester - CAS 1150271-44-5
Catalog: |
BB003466 |
Product Name: |
2-Oxoindoline-4-boronic Acid Pinacol Ester |
CAS: |
1150271-44-5 |
Synonyms: |
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one; 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one |
IUPAC Name: | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one |
Description: | 2-Oxoindoline-4-boronic Acid Pinacol Ester (CAS# 1150271-44-5) is a useful research chemical. |
Molecular Weight: | 259.11 |
Molecular Formula: | C14H18NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C3CC(=O)NC3=CC=C2 |
InChI: | InChI=1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)10-6-5-7-11-9(10)8-12(17)16-11/h5-7H,8H2,1-4H3,(H,16,17) |
InChI Key: | LDDMKYKRLRAKPL-UHFFFAOYSA-N |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
MDL: | MFCD11504971 |
LogP: | 1.61840 |
Publication Number | Title | Priority Date |
JP-2019516761-A | Pyridinedicarboxamide derivatives as bromodomain inhibitors | 20160524 |
KR-20190006567-A | Pyridine Dicarboxamide Derivatives as Bromo Domain Inhibitors | 20160524 |
US-2019202786-A1 | Pyridine dicarboxamide derivatives as bromodomain inhibitors | 20160524 |
US-10844015-B2 | Pyridine dicarboxamide derivatives as bromodomain inhibitors | 20160524 |
JP-6885968-B2 | Pyridine dicarboxamide derivative as a bromodomain inhibitor | 20160524 |
Complexity: | 380 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.1379736 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.1379736 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 47.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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