5-Bromo-1-(phenylsulfonyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

Product Information

Molecular Formula:
C19H20BBrN2O4S
Molecular Weight:
463.15
Description
5-Bromo-1-(phenylsulfonyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine displays remarkable efficacy in selectively targeting drug-resistant cell lines and impeding their proliferation, thus making it a potential candidate for combating cancer and autoimmune disorders. Its multifaceted nature grants significant prospects in the advancement of novel therapeutic interventions.
Synonyms
1-(benzenesulfonyl)-5-bromo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine; 5-Bromo-1-(phenylsulfonyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
IUPAC Name
1-(benzenesulfonyl)-5-bromo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=CC(=CN=C3N2S(=O)(=O)C4=CC=CC=C4)Br
InChI
InChI=1S/C19H20BBrN2O4S/c1-18(2)19(3,4)27-20(26-18)16-11-13-10-14(21)12-22-17(13)23(16)28(24,25)15-8-6-5-7-9-15/h5-12H,1-4H3
InChI Key
PMNOOVGXJBZJDC-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H301
Precautionary Statement
P301 + P310

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
462.04202 g/mol
Monoisotopic Mass
462.04202 g/mol
Topological Polar Surface Area
78.8Ų
Heavy Atom Count
28
Formal Charge
0
Complexity
677
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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