E957-1826 Screening compound: (2E)-N-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-3-(thiophen-2-yl)prop-2-enamide

E957-1826 Screening compound: (2E)-N-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-3-(thiophen-2-yl)prop-2-enamide
E957-1826 Screening compound: (2E)-N-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-3-(thiophen-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E957-1826
(2E)-N-{2-[4-(4-methoxyphenyl)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

E957-1826

Molecular Formula

C27H25N3O4S (C27 H25 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N(CC1)CCN1C(c(oc1c2cccc1)c2NC(/C=C/c1cccs1)=O)=O

InChI

InChI=1S/C27H25N3O4S/c1-33-20-10-8-19(9-11-20)29-14-16-30(17-15-29)27(32)26-25(22-6-2-3-7-23(22)34-26)28-24(31)13-12-21-5-4-18-35-21/h2-13,18H,14-17H2,1H3,(H,28,31)

InChI Key

VXCKYPNZMQQTMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.701

Distribution Coefficient, logD

4.664

Water Solubility, LogSw

-4.43

Polar Surface Area

58.717

Acid Dissociation Constant (pKa)

8.46

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

E957-1826 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with E957-1826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E957-1826?
Check Price and Availability of E957-1826, 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 E957-1826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E957-1826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E957-1826
  • 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 E957-1826 available by request