E957-0401 Screening compound: N-(2-{[1,4'-bipiperidine]-1'-carbonyl}-1-benzofuran-3-yl)-2-(4-fluorophenyl)acetamide

E957-0401 Screening compound: N-(2-{[1,4'-bipiperidine]-1'-carbonyl}-1-benzofuran-3-yl)-2-(4-fluorophenyl)acetamide
E957-0401 Screening compound: N-(2-{[1,4'-bipiperidine]-1'-carbonyl}-1-benzofuran-3-yl)-2-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E957-0401
N-(2-{[1,4'-bipiperidine]-1'-carbonyl}-1-benzofuran-3-yl)-2-(4-fluorophenyl)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

E957-0401

Molecular Formula

C27H30FN3O3 (C27 H30 FN3 O3)

Compound Name

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

IUPAC name

N-(2-{[14'-bipiperidine]-1'-carbonyl}-1-benzofuran-3-yl)-2-(4-fluorophenyl)acetamide

SMILES

O=C(Cc(cc1)ccc1F)Nc1c(C(N(CC2)CCC2N2CCCCC2)=O)oc2c1cccc2

InChI

InChI=1S/C27H30FN3O3/c28-20-10-8-19(9-11-20)18-24(32)29-25-22-6-2-3-7-23(22)34-26(25)27(33)31-16-12-21(13-17-31)30-14-4-1-5-15-30/h2-3,6-11,21H,1,4-5,12-18H2,(H,29,32)

InChI Key

NMYDPFIVSFAIQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14931976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.897

Distribution Coefficient, logD

0.457

Water Solubility, LogSw

-4.00

Polar Surface Area

49.988

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

10.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

E957-0401 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E957-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E957-0401?
Check Price and Availability of E957-0401, 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 E957-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E957-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E957-0401
  • 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 E957-0401 available by request