E957-0846 Screening compound: 4-fluoro-N-{2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}benzamide

E957-0846 Screening compound: 4-fluoro-N-{2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}benzamide
E957-0846 Screening compound: 4-fluoro-N-{2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E957-0846
4-fluoro-N-{2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}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

E957-0846

Molecular Formula

C26H21F2N3O3 (C26 H21 F2 N3 O3)

Compound Name

4-fluoro-N-{2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}benzamide

IUPAC name

4-fluoro-N-{2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}benzamide

SMILES

O=C(c(oc1c2cccc1)c2NC(c(cc1)ccc1F)=O)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C26H21F2N3O3/c27-18-11-9-17(10-12-18)25(32)29-23-19-5-1-4-8-22(19)34-24(23)26(33)31-15-13-30(14-16-31)21-7-3-2-6-20(21)28/h1-12H,13-16H2,(H,29,32)

InChI Key

VGKOHPFTJRTDNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.336

Distribution Coefficient, logD

3.143

Water Solubility, LogSw

-4.37

Polar Surface Area

50.068

Acid Dissociation Constant (pKa)

6.24

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with E957-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E957-0846?
Check Price and Availability of E957-0846, 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 E957-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E957-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E957-0846
  • 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 E957-0846 available by request