E957-2048 Screening compound: N-(2-{[1,4'-bipiperidine]-1'-carbonyl}-1-benzofuran-3-yl)-3-methylbenzamide

E957-2048 Screening compound: N-(2-{[1,4'-bipiperidine]-1'-carbonyl}-1-benzofuran-3-yl)-3-methylbenzamide
E957-2048 Screening compound: N-(2-{[1,4'-bipiperidine]-1'-carbonyl}-1-benzofuran-3-yl)-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E957-2048
N-(2-{[1,4'-bipiperidine]-1'-carbonyl}-1-benzofuran-3-yl)-3-methylbenzamide

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

E957-2048

Molecular Formula

C27H31N3O3 (C27 H31 N3 O3)

Compound Name

N-(2-{[1,4'-bipiperidine]-1'-carbonyl}-1-benzofuran-3-yl)-3-methylbenzamide

IUPAC name

N-(2-{[14'-bipiperidine]-1'-carbonyl}-1-benzofuran-3-yl)-3-methylbenzamide

SMILES

Cc1cccc(C(Nc2c(C(N(CC3)CCC3N3CCCCC3)=O)oc3c2cccc3)=O)c1

InChI

InChI=1S/C27H31N3O3/c1-19-8-7-9-20(18-19)26(31)28-24-22-10-3-4-11-23(22)33-25(24)27(32)30-16-12-21(13-17-30)29-14-5-2-6-15-29/h3-4,7-11,18,21H,2,5-6,12-17H2,1H3,(H,28,31)

InChI Key

FNHZCCKDPPBEKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

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

4.212

Distribution Coefficient, logD

4.212

Water Solubility, LogSw

-4.24

Polar Surface Area

50.202

Acid Dissociation Constant (pKa)

6.64

Base Dissociation Constant (pKb)

10.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

E957-2048 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E957-2048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E957-2048?
Check Price and Availability of E957-2048, 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 E957-2048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E957-2048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E957-2048
  • 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 E957-2048 available by request