4546-0014 Screening compound: ethyl 2-(3,5-dibromo-4-methoxyphenyl)-5-hydroxy-1-benzofuran-3-carboxylate

4546-0014 Screening compound: ethyl 2-(3,5-dibromo-4-methoxyphenyl)-5-hydroxy-1-benzofuran-3-carboxylate
4546-0014 Screening compound: ethyl 2-(3,5-dibromo-4-methoxyphenyl)-5-hydroxy-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4546-0014
ethyl 2-(3,5-dibromo-4-methoxyphenyl)-5-hydroxy-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

4546-0014

Molecular Formula

C18H14Br2O5 (C18 H14 Br2 O5)

Compound Name

ethyl 2-(3,5-dibromo-4-methoxyphenyl)-5-hydroxy-1-benzofuran-3-carboxylate

IUPAC name

ethyl 2-(35-dibromo-4-methoxyphenyl)-5-hydroxy-1-benzofuran-3-carboxylate

SMILES

CCOC(c1c(-c(cc2Br)cc(Br)c2OC)oc(cc2)c1cc2O)=O

InChI

InChI=1S/C18H14Br2O5/c1-3-24-18(22)15-11-8-10(21)4-5-14(11)25-16(15)9-6-12(19)17(23-2)13(20)7-9/h4-8,21H,3H2,1-2H3

InChI Key

CFLMLXVOSHAJIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01556192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.11

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.574

Distribution Coefficient, logD

5.555

Water Solubility, LogSw

-5.45

Polar Surface Area

54.581

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4546-0014 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

GABA Library (7115 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Eye
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 4546-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4546-0014?
Check Price and Availability of 4546-0014, 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 4546-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4546-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4546-0014
  • 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 4546-0014 available by request