4554-5182 Screening compound: ethyl 5-[(4-bromophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate

4554-5182 Screening compound: ethyl 5-[(4-bromophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate
4554-5182 Screening compound: ethyl 5-[(4-bromophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4554-5182
ethyl 5-[(4-bromophenyl)methoxy]-2-(4-methoxyphenyl)-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

4554-5182

Molecular Formula

C25H21BrO5 (C25 H21 BrO5)

Compound Name

ethyl 5-[(4-bromophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate

IUPAC name

ethyl 5-[(4-bromophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate

SMILES

CCOC(c1c(-c(cc2)ccc2OC)oc(cc2)c1cc2OCc(cc1)ccc1Br)=O

InChI

InChI=1S/C25H21BrO5/c1-3-29-25(27)23-21-14-20(30-15-16-4-8-18(26)9-5-16)12-13-22(21)31-24(23)17-6-10-19(28-2)11-7-17/h4-14H,3,15H2,1-2H3

InChI Key

ZSFPQQHDKOMVOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03289752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.974

Distribution Coefficient, logD

6.974

Water Solubility, LogSw

-5.93

Polar Surface Area

44.018

Acid Dissociation Constant (pKa)

28.57

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

4554-5182 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4554-5182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4554-5182?
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What is the minimum amount of 4554-5182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4554-5182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4554-5182
  • 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 4554-5182 available by request