Y041-8248 Screening compound: 3-(3,4-dimethoxybenzoyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]oxy}-1-benzofuran

Y041-8248 Screening compound: 3-(3,4-dimethoxybenzoyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]oxy}-1-benzofuran
Y041-8248 Screening compound: 3-(3,4-dimethoxybenzoyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]oxy}-1-benzofuran alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8248
3-(3,4-dimethoxybenzoyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]oxy}-1-benzofuran

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

Y041-8248

Molecular Formula

C26H22O5 (C26 H22 O5)

Compound Name

3-(3,4-dimethoxybenzoyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]oxy}-1-benzofuran

IUPAC name

3-(34-dimethoxybenzoyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]oxy}-1-benzofuran

SMILES

COc(ccc(C(c1coc(cc2)c1cc2OC/C=C/c1ccccc1)=O)c1)c1OC

InChI

InChI=1S/C26H22O5/c1-28-24-12-10-19(15-25(24)29-2)26(27)22-17-31-23-13-11-20(16-21(22)23)30-14-6-9-18-7-4-3-5-8-18/h3-13,15-17H,14H2,1-2H3

InChI Key

XSWMQDGNMJTJEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30458109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.46

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

5.414

Distribution Coefficient, logD

5.414

Water Solubility, LogSw

-5.74

Polar Surface Area

45.672

Acid Dissociation Constant (pKa)

31.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.54

References: we are preparing a list of scientific research reports with Y041-8248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8248?
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What is the minimum amount of Y041-8248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8248
  • 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 Y041-8248 available by request