Y041-6462 Screening compound: methyl 2-{[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy}acetate

Y041-6462 Screening compound: methyl 2-{[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy}acetate
Y041-6462 Screening compound: methyl 2-{[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-6462
methyl 2-{[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy}acetate

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

Y041-6462

Molecular Formula

C21H20O8 (C21 H20 O8)

Compound Name

methyl 2-{[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy}acetate

IUPAC name

methyl 2-{[3-(345-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy}acetate

SMILES

COC(COc(cc1)cc2c1occ2C(c(cc1OC)cc(OC)c1OC)=O)=O

InChI

InChI=1S/C21H20O8/c1-24-17-7-12(8-18(25-2)21(17)27-4)20(23)15-10-29-16-6-5-13(9-14(15)16)28-11-19(22)26-3/h5-10H,11H2,1-4H3

InChI Key

LLYWFPBBFDGVGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28578369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.574

Distribution Coefficient, logD

2.574

Water Solubility, LogSw

-3.05

Polar Surface Area

74.321

Acid Dissociation Constant (pKa)

23.90

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

References: we are preparing a list of scientific research reports with Y041-6462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-6462?
Check Price and Availability of Y041-6462, 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 Y041-6462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-6462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-6462
  • 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 Y041-6462 available by request