E957-0402 Screening compound: 2-(4-fluorophenyl)-N-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}acetamide

E957-0402 Screening compound: 2-(4-fluorophenyl)-N-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}acetamide
E957-0402 Screening compound: 2-(4-fluorophenyl)-N-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E957-0402
2-(4-fluorophenyl)-N-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}acetamide

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

E957-0402

Molecular Formula

C26H23FN4O3 (C26 H23 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cc(cc1)ccc1F)Nc1c(C(N(CC2)CCN2c2ncccc2)=O)oc2c1cccc2

InChI

InChI=1S/C26H23FN4O3/c27-19-10-8-18(9-11-19)17-23(32)29-24-20-5-1-2-6-21(20)34-25(24)26(33)31-15-13-30(14-16-31)22-7-3-4-12-28-22/h1-12H,13-17H2,(H,29,32)

InChI Key

YIIICSIEANDPQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14931977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.851

Distribution Coefficient, logD

3.757

Water Solubility, LogSw

-4.12

Polar Surface Area

58.666

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

E957-0402 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E957-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E957-0402?
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What is the minimum amount of E957-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E957-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E957-0402
  • 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 E957-0402 available by request