E957-0013 Screening compound: N-[2-(4-benzylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-(thiophen-2-yl)acetamide

E957-0013 Screening compound: N-[2-(4-benzylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-(thiophen-2-yl)acetamide
E957-0013 Screening compound: N-[2-(4-benzylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-(thiophen-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E957-0013
N-[2-(4-benzylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-(thiophen-2-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

E957-0013

Molecular Formula

C26H25N3O3S (C26 H25 N3 O3 S)

Compound Name

N-[2-(4-benzylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-(thiophen-2-yl)acetamide

IUPAC name

N-[2-(4-benzylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-2-(thiophen-2-yl)acetamide

SMILES

O=C(Cc1cccs1)Nc1c(C(N2CCN(Cc3ccccc3)CC2)=O)oc2c1cccc2

InChI

InChI=1S/C26H25N3O3S/c30-23(17-20-9-6-16-33-20)27-24-21-10-4-5-11-22(21)32-25(24)26(31)29-14-12-28(13-15-29)18-19-7-2-1-3-8-19/h1-11,16H,12-15,17-18H2,(H,27,30)

InChI Key

HIYNSSHSMZWGLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14931874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.359

Distribution Coefficient, logD

3.307

Water Solubility, LogSw

-3.41

Polar Surface Area

51.454

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

E957-0013 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E957-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E957-0013?
Check Price and Availability of E957-0013, 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 E957-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E957-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E957-0013
  • 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 E957-0013 available by request