5084-0053 Screening compound: ethyl 6-bromo-5-(4-methoxybenzoyloxy)-2-methyl-1-benzofuran-3-carboxylate

5084-0053 Screening compound: ethyl 6-bromo-5-(4-methoxybenzoyloxy)-2-methyl-1-benzofuran-3-carboxylate
5084-0053 Screening compound: ethyl 6-bromo-5-(4-methoxybenzoyloxy)-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5084-0053
ethyl 6-bromo-5-(4-methoxybenzoyloxy)-2-methyl-1-benzofuran-3-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

5084-0053

Molecular Formula

C20H17BrO6 (C20 H17 BrO6)

Compound Name

ethyl 6-bromo-5-(4-methoxybenzoyloxy)-2-methyl-1-benzofuran-3-carboxylate

IUPAC name

ethyl 6-bromo-5-(4-methoxybenzoyloxy)-2-methyl-1-benzofuran-3-carboxylate

SMILES

CCOC(c(c1c2)c(C)oc1cc(Br)c2OC(c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C20H17BrO6/c1-4-25-20(23)18-11(2)26-16-10-15(21)17(9-14(16)18)27-19(22)12-5-7-13(24-3)8-6-12/h5-10H,4H2,1-3H3

InChI Key

PPVWEWOLFGUFCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03284248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.755

Distribution Coefficient, logD

4.755

Water Solubility, LogSw

-4.87

Polar Surface Area

56.948

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

5084-0053 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Autophagy-Targeted Library (4564 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 5084-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5084-0053?
Check Price and Availability of 5084-0053, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5084-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5084-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5084-0053
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 5084-0053 available by request