6861-0084 Screening compound: 2-methyl-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide

6861-0084 Screening compound: 2-methyl-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide
6861-0084 Screening compound: 2-methyl-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6861-0084
2-methyl-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide

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

6861-0084

Molecular Formula

C20H19NO3 (C20 H19 NO3)

Compound Name

2-methyl-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide

IUPAC name

2-methyl-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide

SMILES

CC(C)C(Nc1c(C(c2ccc(C)cc2)=O)oc2c1cccc2)=O

InChI

InChI=1S/C20H19NO3/c1-12(2)20(23)21-17-15-6-4-5-7-16(15)24-19(17)18(22)14-10-8-13(3)9-11-14/h4-12H,1-3H3,(H,21,23)

InChI Key

PPTMGQARSAVBJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04448658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.638

Distribution Coefficient, logD

4.636

Water Solubility, LogSw

-4.36

Polar Surface Area

44.198

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

6861-0084 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Anti-Aging Library (44940 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6861-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6861-0084?
Check Price and Availability of 6861-0084, 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 6861-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6861-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6861-0084
  • 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 6861-0084 available by request