E957-0122 Screening compound: N-(2-{[1,4'-bipiperidine]-1'-carbonyl}-1-benzofuran-3-yl)-2-phenoxypropanamide

E957-0122 Screening compound: N-(2-{[1,4'-bipiperidine]-1'-carbonyl}-1-benzofuran-3-yl)-2-phenoxypropanamide
E957-0122 Screening compound: N-(2-{[1,4'-bipiperidine]-1'-carbonyl}-1-benzofuran-3-yl)-2-phenoxypropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E957-0122
N-(2-{[1,4'-bipiperidine]-1'-carbonyl}-1-benzofuran-3-yl)-2-phenoxypropanamide

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

E957-0122

Molecular Formula

C28H33N3O4 (C28 H33 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C(Nc1c(C(N(CC2)CCC2N2CCCCC2)=O)oc2c1cccc2)=O)Oc1ccccc1

InChI

InChI=1S/C28H33N3O4/c1-20(34-22-10-4-2-5-11-22)27(32)29-25-23-12-6-7-13-24(23)35-26(25)28(33)31-18-14-21(15-19-31)30-16-8-3-9-17-30/h2,4-7,10-13,20-21H,3,8-9,14-19H2,1H3,(H,29,32)/t20-/m0/s1

InChI Key

YFXYVSMELLLBQH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14931895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.360

Distribution Coefficient, logD

0.920

Water Solubility, LogSw

-4.11

Polar Surface Area

56.991

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

10.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

E957-0122 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E957-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E957-0122?
Check Price and Availability of E957-0122, 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 E957-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E957-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E957-0122
  • 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 E957-0122 available by request