E957-0115 Screening compound: 2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide

E957-0115 Screening compound: 2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide
E957-0115 Screening compound: 2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E957-0115
2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide

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

E957-0115

Molecular Formula

C28H27N3O4 (C28 H27 N3 O4)

Compound Name

2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide

IUPAC name

2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide

SMILES

CC(C(Nc1c(C(N(CC2)CCN2c2ccccc2)=O)oc2c1cccc2)=O)Oc1ccccc1

InChI

InChI=1S/C28H27N3O4/c1-20(34-22-12-6-3-7-13-22)27(32)29-25-23-14-8-9-15-24(23)35-26(25)28(33)31-18-16-30(17-19-31)21-10-4-2-5-11-21/h2-15,20H,16-19H2,1H3,(H,29,32)/t20-/m0/s1

InChI Key

IYGLWARTRSYWDU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14931892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.54

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

4.646

Distribution Coefficient, logD

4.603

Water Solubility, LogSw

-4.23

Polar Surface Area

57.158

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

E957-0115 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E957-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E957-0115?
Check Price and Availability of E957-0115, 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 E957-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E957-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E957-0115
  • 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 E957-0115 available by request