6861-0333 Screening compound: N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3,4,5-trimethoxybenzamide

6861-0333 Screening compound: N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3,4,5-trimethoxybenzamide
6861-0333 Screening compound: N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6861-0333
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3,4,5-trimethoxybenzamide

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

6861-0333

Molecular Formula

C25H20FNO6 (C25 H20 FNO6)

Compound Name

N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3,4,5-trimethoxybenzamide

IUPAC name

N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-345-trimethoxybenzamide

SMILES

COc1cc(C(Nc2c(C(c(cc3)ccc3F)=O)oc3c2cccc3)=O)cc(OC)c1OC

InChI

InChI=1S/C25H20FNO6/c1-30-19-12-15(13-20(31-2)23(19)32-3)25(29)27-21-17-6-4-5-7-18(17)33-24(21)22(28)14-8-10-16(26)11-9-14/h4-13H,1-3H3,(H,27,29)

InChI Key

KHNYRHSDCRHAOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06320039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.356

Distribution Coefficient, logD

4.355

Water Solubility, LogSw

-4.50

Polar Surface Area

66.905

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

-3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

6861-0333 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • 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 6861-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6861-0333?
Check Price and Availability of 6861-0333, 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 6861-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6861-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6861-0333
  • 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 6861-0333 available by request