E957-1820 Screening compound: (2E)-N-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-3-(thiophen-2-yl)prop-2-enamide

E957-1820 Screening compound: (2E)-N-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-3-(thiophen-2-yl)prop-2-enamide
E957-1820 Screening compound: (2E)-N-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-3-(thiophen-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E957-1820
(2E)-N-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-3-(thiophen-2-yl)prop-2-enamide

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

E957-1820

Molecular Formula

C25H22N4O3S (C25 H22 N4 O3 S)

Compound Name

(2E)-N-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-3-(thiophen-2-yl)prop-2-enamide

IUPAC name

(2E)-N-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-3-(thiophen-2-yl)prop-2-enamide

SMILES

O=C(/C=C/c1cccs1)Nc1c(C(N(CC2)CCN2c2ncccc2)=O)oc2c1cccc2

InChI

InChI=1S/C25H22N4O3S/c30-22(11-10-18-6-5-17-33-18)27-23-19-7-1-2-8-20(19)32-24(23)25(31)29-15-13-28(14-16-29)21-9-3-4-12-26-21/h1-12,17H,13-16H2,(H,27,30)

InChI Key

BNPXHHRXMXIBKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

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

4.265

Distribution Coefficient, logD

4.219

Water Solubility, LogSw

-4.24

Polar Surface Area

59.685

Acid Dissociation Constant (pKa)

8.46

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

E957-1820 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with E957-1820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E957-1820?
Check Price and Availability of E957-1820, 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 E957-1820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E957-1820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E957-1820
  • 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 E957-1820 available by request