Y042-1895 Screening compound: isopropyl 5-({[3-(4-methoxybenzoyl)-1-benzofuran-5-yl]oxy}methyl)-2-furoate

Y042-1895 Screening compound: isopropyl 5-({[3-(4-methoxybenzoyl)-1-benzofuran-5-yl]oxy}methyl)-2-furoate
Y042-1895 Screening compound: isopropyl 5-({[3-(4-methoxybenzoyl)-1-benzofuran-5-yl]oxy}methyl)-2-furoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-1895
isopropyl 5-({[3-(4-methoxybenzoyl)-1-benzofuran-5-yl]oxy}methyl)-2-furoate

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

Y042-1895

Molecular Formula

C25H22O7 (C25 H22 O7)

Compound Name

isopropyl 5-({[3-(4-methoxybenzoyl)-1-benzofuran-5-yl]oxy}methyl)-2-furoate

IUPAC name

propan-2-yl 5-({[3-(4-methoxybenzoyl)-1-benzofuran-5-yl]oxy}methyl)furan-2-carboxylate

SMILES

CC(C)OC(c1ccc(COc(cc2)cc3c2occ3C(c(cc2)ccc2OC)=O)o1)=O

InChI

InChI=1S/C25H22O7/c1-15(2)31-25(27)23-11-9-19(32-23)13-29-18-8-10-22-20(12-18)21(14-30-22)24(26)16-4-6-17(28-3)7-5-16/h4-12,14-15H,13H2,1-3H3

InChI Key

ZEQKTICQROTVTN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.144

Distribution Coefficient, logD

5.144

Water Solubility, LogSw

-5.16

Polar Surface Area

66.311

Acid Dissociation Constant (pKa)

29.95

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with Y042-1895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-1895?
Check Price and Availability of Y042-1895, 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 Y042-1895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-1895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-1895
  • 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 Y042-1895 available by request