3341-4864 Screening compound: ethyl 6-bromo-5-(methanesulfonyloxy)-2-phenyl-1-benzofuran-3-carboxylate

3341-4864 Screening compound: ethyl 6-bromo-5-(methanesulfonyloxy)-2-phenyl-1-benzofuran-3-carboxylate
3341-4864 Screening compound: ethyl 6-bromo-5-(methanesulfonyloxy)-2-phenyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3341-4864
ethyl 6-bromo-5-(methanesulfonyloxy)-2-phenyl-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

3341-4864

Molecular Formula

C18H15BrO6S (C18 H15 BrO6 S)

Compound Name

ethyl 6-bromo-5-(methanesulfonyloxy)-2-phenyl-1-benzofuran-3-carboxylate

IUPAC name

ethyl 6-bromo-5-(methanesulfonyloxy)-2-phenyl-1-benzofuran-3-carboxylate

SMILES

CCOC(c(c1c2)c(-c3ccccc3)oc1cc(Br)c2OS(C)(=O)=O)=O

InChI

InChI=1S/C18H15BrO6S/c1-3-23-18(20)16-12-9-15(25-26(2,21)22)13(19)10-14(12)24-17(16)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3

InChI Key

HHFYWFIIKMJDGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02166966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.450

Distribution Coefficient, logD

4.450

Water Solubility, LogSw

-4.42

Polar Surface Area

65.482

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3341-4864 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3341-4864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3341-4864?
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What is the minimum amount of 3341-4864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3341-4864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3341-4864
  • 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 3341-4864 available by request