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5-Bromo-1-(phenylsulfonyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-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

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Molecular Formula:

C19H20BBrN2O4S

Molecular Weight:

463.15

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

462.04202 g/mol

Monoisotopic Mass

462.04202 g/mol

Topological Polar Surface Area

78.8Å²

Heavy Atom Count

Formal Charge

Complexity

677

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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

Product Information

Safety Information

Computed Properties

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