E957-2566 Screening compound: N,N-dipropyl-3-[(2E)-3-(thiophen-2-yl)prop-2-enamido]-1-benzofuran-2-carboxamide

E957-2566 Screening compound: N,N-dipropyl-3-[(2E)-3-(thiophen-2-yl)prop-2-enamido]-1-benzofuran-2-carboxamide
E957-2566 Screening compound: N,N-dipropyl-3-[(2E)-3-(thiophen-2-yl)prop-2-enamido]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E957-2566
N,N-dipropyl-3-[(2E)-3-(thiophen-2-yl)prop-2-enamido]-1-benzofuran-2-carboxamide

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

E957-2566

Molecular Formula

C22H24N2O3S (C22 H24 N2 O3 S)

Compound Name

N,N-dipropyl-3-[(2E)-3-(thiophen-2-yl)prop-2-enamido]-1-benzofuran-2-carboxamide

IUPAC name

NN-dipropyl-3-[(2E)-3-(thiophen-2-yl)prop-2-enamido]-1-benzofuran-2-carboxamide

SMILES

CCCN(CCC)C(c(oc1c2cccc1)c2NC(/C=C/c1cccs1)=O)=O

InChI

InChI=1S/C22H24N2O3S/c1-3-13-24(14-4-2)22(26)21-20(17-9-5-6-10-18(17)27-21)23-19(25)12-11-16-8-7-15-28-16/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,25)

InChI Key

LCXUOSOKSPDNQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.740

Distribution Coefficient, logD

4.704

Water Solubility, LogSw

-4.58

Polar Surface Area

47.704

Acid Dissociation Constant (pKa)

8.46

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E957-2566 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with E957-2566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E957-2566?
Check Price and Availability of E957-2566, 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 E957-2566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E957-2566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E957-2566
  • 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 E957-2566 available by request