6861-0397 Screening compound: N-(2-benzoyl-1-benzofuran-3-yl)-4-(propan-2-yloxy)benzamide

6861-0397 Screening compound: N-(2-benzoyl-1-benzofuran-3-yl)-4-(propan-2-yloxy)benzamide
6861-0397 Screening compound: N-(2-benzoyl-1-benzofuran-3-yl)-4-(propan-2-yloxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6861-0397
N-(2-benzoyl-1-benzofuran-3-yl)-4-(propan-2-yloxy)benzamide

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

6861-0397

Molecular Formula

C25H21NO4 (C25 H21 NO4)

Compound Name

N-(2-benzoyl-1-benzofuran-3-yl)-4-(propan-2-yloxy)benzamide

IUPAC name

N-(2-benzoyl-1-benzofuran-3-yl)-4-(propan-2-yloxy)benzamide

SMILES

CC(C)Oc(cc1)ccc1C(Nc1c(C(c2ccccc2)=O)oc2c1cccc2)=O

InChI

InChI=1S/C25H21NO4/c1-16(2)29-19-14-12-18(13-15-19)25(28)26-22-20-10-6-7-11-21(20)30-24(22)23(27)17-8-4-3-5-9-17/h3-16H,1-2H3,(H,26,28)

InChI Key

LLNDFVVUQBCALR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04448467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.108

Distribution Coefficient, logD

5.090

Water Solubility, LogSw

-5.19

Polar Surface Area

50.730

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

-3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

6861-0397 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6861-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6861-0397?
Check Price and Availability of 6861-0397, 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 6861-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6861-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6861-0397
  • 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 6861-0397 available by request