E957-0902 Screening compound: 2-ethoxy-N-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}acetamide

E957-0902 Screening compound: 2-ethoxy-N-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}acetamide
E957-0902 Screening compound: 2-ethoxy-N-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E957-0902
2-ethoxy-N-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-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

E957-0902

Molecular Formula

C24H27N3O5 (C24 H27 N3 O5)

Compound Name

2-ethoxy-N-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}acetamide

IUPAC name

2-ethoxy-N-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}acetamide

SMILES

CCOCC(Nc1c(C(N(CC2)CCN2c(cc2)ccc2OC)=O)oc2c1cccc2)=O

InChI

InChI=1S/C24H27N3O5/c1-3-31-16-21(28)25-22-19-6-4-5-7-20(19)32-23(22)24(29)27-14-12-26(13-15-27)17-8-10-18(30-2)11-9-17/h4-11H,3,12-16H2,1-2H3,(H,25,28)

InChI Key

MJYKBPIDTYOQFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.039

Distribution Coefficient, logD

3.020

Water Solubility, LogSw

-3.20

Polar Surface Area

66.029

Acid Dissociation Constant (pKa)

8.74

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E957-0902 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E957-0902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E957-0902?
Check Price and Availability of E957-0902, 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 E957-0902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E957-0902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E957-0902
  • 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 E957-0902 available by request