4-[(4-Methyl-1-piperazinyl)sulfonyl]phenylboronic Acid Pinacol Ester - CAS 914610-39-2
Catalog: |
BB040199 |
Product Name: |
4-[(4-Methyl-1-piperazinyl)sulfonyl]phenylboronic Acid Pinacol Ester |
CAS: |
914610-39-2 |
Synonyms: |
1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylpiperazine; 1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylpiperazine |
IUPAC Name: | 1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylpiperazine |
Description: | 4-[(4-Methyl-1-piperazinyl)sulfonyl]phenylboronic Acid Pinacol Ester (CAS# 914610-39-2) is a useful research chemical. |
Molecular Weight: | 366.28 |
Molecular Formula: | C17H27N2O4SB |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C |
InChI: | InChI=1S/C17H27BN2O4S/c1-16(2)17(3,4)24-18(23-16)14-6-8-15(9-7-14)25(21,22)20-12-10-19(5)11-13-20/h6-9H,10-13H2,1-5H3 |
InChI Key: | TZMSTBRAQGYDJI-UHFFFAOYSA-N |
LogP: | 1.87850 |
Publication Number | Title | Priority Date |
EP-2968358-A1 | Novel choline kinase inhibitors | 20130315 |
US-2016024024-A1 | Novel Choline Kinase Inhibitors | 20130315 |
US-9834521-B2 | Choline kinase inhibitors | 20130315 |
WO-2014151761-A1 | Novel choline kinase inhibitors | 20130315 |
EP-2964635-B1 | Antiviral compounds | 20130306 |
Complexity: | 558 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 366.1784587 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 366.1784587 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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