3570-0741 Screening compound: ethyl 6-bromo-5-[(4-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylate

3570-0741 Screening compound: ethyl 6-bromo-5-[(4-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylate
3570-0741 Screening compound: ethyl 6-bromo-5-[(4-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3570-0741
ethyl 6-bromo-5-[(4-methylphenyl)methoxy]-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

3570-0741

Molecular Formula

C25H21BrO4 (C25 H21 BrO4)

Compound Name

ethyl 6-bromo-5-[(4-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylate

IUPAC name

ethyl 6-bromo-5-[(4-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylate

SMILES

CCOC(c(c1c2)c(-c3ccccc3)oc1cc(Br)c2OCc1ccc(C)cc1)=O

InChI

InChI=1S/C25H21BrO4/c1-3-28-25(27)23-19-13-22(29-15-17-11-9-16(2)10-12-17)20(26)14-21(19)30-24(23)18-7-5-4-6-8-18/h4-14H,3,15H2,1-2H3

InChI Key

FMARNTVWLCJESJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02167065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.151

Distribution Coefficient, logD

7.151

Water Solubility, LogSw

-5.78

Polar Surface Area

36.561

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

3570-0741 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 3570-0741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3570-0741?
Check Price and Availability of 3570-0741, 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 3570-0741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3570-0741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3570-0741
  • 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 3570-0741 available by request