E002-2469 Screening compound: 3-(4-methoxyphenyl)-N-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}propanamide

E002-2469 Screening compound: 3-(4-methoxyphenyl)-N-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}propanamide
E002-2469 Screening compound: 3-(4-methoxyphenyl)-N-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1-benzofuran-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-2469
3-(4-methoxyphenyl)-N-{2-[4-(pyridin-2-yl)piperazine-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

E002-2469

Molecular Formula

C28H28N4O4 (C28 H28 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C28H28N4O4/c1-35-21-12-9-20(10-13-21)11-14-25(33)30-26-22-6-2-3-7-23(22)36-27(26)28(34)32-18-16-31(17-19-32)24-8-4-5-15-29-24/h2-10,12-13,15H,11,14,16-19H2,1H3,(H,30,33)

InChI Key

LCFKFLWSKKMKPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.55

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

4.291

Distribution Coefficient, logD

4.200

Water Solubility, LogSw

-4.17

Polar Surface Area

66.210

Acid Dissociation Constant (pKa)

8.08

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E002-2469 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E002-2469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-2469?
Check Price and Availability of E002-2469, 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 E002-2469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-2469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-2469
  • 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 E002-2469 available by request