8009-0572 Screening compound: methyl 4-(1-benzofuran-2-yl)-4-oxobutanoate

8009-0572 Screening compound: methyl 4-(1-benzofuran-2-yl)-4-oxobutanoate
8009-0572 Screening compound: methyl 4-(1-benzofuran-2-yl)-4-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0572
methyl 4-(1-benzofuran-2-yl)-4-oxobutanoate

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

8009-0572

Molecular Formula

C13H12O4 (C13 H12 O4)

Compound Name

methyl 4-(1-benzofuran-2-yl)-4-oxobutanoate

IUPAC name

methyl 4-(1-benzofuran-2-yl)-4-oxobutanoate

SMILES

COC(CCC(c1cc(cccc2)c2o1)=O)=O

InChI

InChI=1S/C13H12O4/c1-16-13(15)7-6-10(14)12-8-9-4-2-3-5-11(9)17-12/h2-5,8H,6-7H2,1H3

InChI Key

BWMLPJNDFRIQHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00438733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

232.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.802

Distribution Coefficient, logD

2.802

Water Solubility, LogSw

-3.39

Polar Surface Area

42.357

Acid Dissociation Constant (pKa)

20.28

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8009-0572 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Antiparasite Library (23996 compounds)

CORONAVIRUS Library (20774 compounds)

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Cancer
  • Immune system
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8009-0572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0572?
Check Price and Availability of 8009-0572, 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 8009-0572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0572
  • 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 8009-0572 available by request