3570-0589 Screening compound: methyl 5-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate

3570-0589 Screening compound: methyl 5-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate
3570-0589 Screening compound: methyl 5-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3570-0589
methyl 5-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-methyl-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

3570-0589

Molecular Formula

C20H18O6 (C20 H18 O6)

Compound Name

methyl 5-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate

IUPAC name

methyl 5-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate

SMILES

Cc1c(C(OC)=O)c(cc(cc2)OCC(c(cc3)ccc3OC)=O)c2o1

InChI

InChI=1S/C20H18O6/c1-12-19(20(22)24-3)16-10-15(8-9-18(16)26-12)25-11-17(21)13-4-6-14(23-2)7-5-13/h4-10H,11H2,1-3H3

InChI Key

KEDVTFJZRUKPAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02167200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.479

Distribution Coefficient, logD

3.479

Water Solubility, LogSw

-3.91

Polar Surface Area

57.378

Acid Dissociation Constant (pKa)

21.92

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3570-0589 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3570-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3570-0589?
Check Price and Availability of 3570-0589, 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 3570-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3570-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3570-0589
  • 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 3570-0589 available by request