E957-0515 Screening compound: 2-(4-methoxyphenyl)-N-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}acetamide

E957-0515 Screening compound: 2-(4-methoxyphenyl)-N-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}acetamide
E957-0515 Screening compound: 2-(4-methoxyphenyl)-N-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E957-0515
2-(4-methoxyphenyl)-N-{2-[4-(pyridin-2-yl)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

E957-0515

Molecular Formula

C27H26N4O4 (C27 H26 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CC(Nc2c(C(N(CC3)CCN3c3ncccc3)=O)oc3c2cccc3)=O)cc1

InChI

InChI=1S/C27H26N4O4/c1-34-20-11-9-19(10-12-20)18-24(32)29-25-21-6-2-3-7-22(21)35-26(25)27(33)31-16-14-30(15-17-31)23-8-4-5-13-28-23/h2-13H,14-18H2,1H3,(H,29,32)

InChI Key

VVUPGELNWMVYFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.804

Distribution Coefficient, logD

3.710

Water Solubility, LogSw

-4.03

Polar Surface Area

66.210

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E957-0515 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E957-0515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E957-0515?
Check Price and Availability of E957-0515, 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 E957-0515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E957-0515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E957-0515
  • 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 E957-0515 available by request