3341-4921 Screening compound: ethyl 6-bromo-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate

3341-4921 Screening compound: ethyl 6-bromo-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
3341-4921 Screening compound: ethyl 6-bromo-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3341-4921
ethyl 6-bromo-5-[(2-fluorophenyl)methoxy]-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

3341-4921

Molecular Formula

C19H16BrFO4 (C19 H16 BrFO4)

Compound Name

ethyl 6-bromo-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate

IUPAC name

ethyl 6-bromo-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate

SMILES

CCOC(c(c1c2)c(C)oc1cc(Br)c2OCc(cccc1)c1F)=O

InChI

InChI=1S/C19H16BrFO4/c1-3-23-19(22)18-11(2)25-16-9-14(20)17(8-13(16)18)24-10-12-6-4-5-7-15(12)21/h4-9H,3,10H2,1-2H3

InChI Key

GNMVHPCGTAHHPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02167020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.216

Distribution Coefficient, logD

5.216

Water Solubility, LogSw

-5.27

Polar Surface Area

36.254

Acid Dissociation Constant (pKa)

29.03

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

3341-4921 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3341-4921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3341-4921?
Check Price and Availability of 3341-4921, 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 3341-4921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3341-4921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3341-4921
  • 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 3341-4921 available by request