Y041-7953 Screening compound: propan-2-yl 5-({[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy}methyl)furan-2-carboxylate

Y041-7953 Screening compound: propan-2-yl 5-({[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy}methyl)furan-2-carboxylate
Y041-7953 Screening compound: propan-2-yl 5-({[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy}methyl)furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-7953
propan-2-yl 5-({[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy}methyl)furan-2-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

Y041-7953

Molecular Formula

C27H26O9 (C27 H26 O9)

Compound Name

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

IUPAC name

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

SMILES

CC(C)OC(c1ccc(COc(cc2)cc3c2occ3C(c(cc2OC)cc(OC)c2OC)=O)o1)=O

InChI

InChI=1S/C27H26O9/c1-15(2)35-27(29)22-9-7-18(36-22)13-33-17-6-8-21-19(12-17)20(14-34-21)25(28)16-10-23(30-3)26(32-5)24(11-16)31-4/h6-12,14-15H,13H2,1-5H3

InChI Key

DQNORDMJGDTNPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29051970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.818

Distribution Coefficient, logD

4.818

Water Solubility, LogSw

-4.82

Polar Surface Area

81.745

Acid Dissociation Constant (pKa)

29.95

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.93

Y041-7953 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-7953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-7953?
Check Price and Availability of Y041-7953, 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 Y041-7953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-7953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-7953
  • 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 Y041-7953 available by request