E957-1163 Screening compound: N-[2-(4-ethylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2,6-difluorobenzamide

E957-1163 Screening compound: N-[2-(4-ethylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2,6-difluorobenzamide
E957-1163 Screening compound: N-[2-(4-ethylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2,6-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E957-1163
N-[2-(4-ethylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2,6-difluorobenzamide

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

E957-1163

Molecular Formula

C22H21F2N3O3 (C22 H21 F2 N3 O3)

Compound Name

N-[2-(4-ethylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2,6-difluorobenzamide

IUPAC name

N-[2-(4-ethylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-26-difluorobenzamide

SMILES

CCN(CC1)CCN1C(c(oc1c2cccc1)c2NC(c(c(F)ccc1)c1F)=O)=O

InChI

InChI=1S/C22H21F2N3O3/c1-2-26-10-12-27(13-11-26)22(29)20-19(14-6-3-4-9-17(14)30-20)25-21(28)18-15(23)7-5-8-16(18)24/h3-9H,2,10-13H2,1H3,(H,25,28)

InChI Key

KZXGYFXISQJUTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.950

Distribution Coefficient, logD

0.844

Water Solubility, LogSw

-3.22

Polar Surface Area

50.645

Acid Dissociation Constant (pKa)

5.30

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E957-1163 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E957-1163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E957-1163?
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What is the minimum amount of E957-1163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E957-1163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E957-1163
  • 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 E957-1163 available by request