E002-2616 Screening compound: N-(2-{4-[(3-ethoxypropyl)(methyl)amino]piperidine-1-carbonyl}-1-benzofuran-3-yl)-2-(4-fluorophenoxy)acetamide

E002-2616 Screening compound: N-(2-{4-[(3-ethoxypropyl)(methyl)amino]piperidine-1-carbonyl}-1-benzofuran-3-yl)-2-(4-fluorophenoxy)acetamide
E002-2616 Screening compound: N-(2-{4-[(3-ethoxypropyl)(methyl)amino]piperidine-1-carbonyl}-1-benzofuran-3-yl)-2-(4-fluorophenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-2616
N-(2-{4-[(3-ethoxypropyl)(methyl)amino]piperidine-1-carbonyl}-1-benzofuran-3-yl)-2-(4-fluorophenoxy)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

E002-2616

Molecular Formula

C28H34FN3O5 (C28 H34 FN3 O5)

Compound Name

N-(2-{4-[(3-ethoxypropyl)(methyl)amino]piperidine-1-carbonyl}-1-benzofuran-3-yl)-2-(4-fluorophenoxy)acetamide

IUPAC name

N-(2-{4-[(3-ethoxypropyl)(methyl)amino]piperidine-1-carbonyl}-1-benzofuran-3-yl)-2-(4-fluorophenoxy)acetamide

SMILES

CCOCCCN(C)C(CC1)CCN1C(c(oc1c2cccc1)c2NC(COc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C28H34FN3O5/c1-3-35-18-6-15-31(2)21-13-16-32(17-14-21)28(34)27-26(23-7-4-5-8-24(23)37-27)30-25(33)19-36-22-11-9-20(29)10-12-22/h4-5,7-12,21H,3,6,13-19H2,1-2H3,(H,30,33)

InChI Key

JMWXAEHWGSVRLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.645

Distribution Coefficient, logD

0.637

Water Solubility, LogSw

-3.79

Polar Surface Area

65.217

Acid Dissociation Constant (pKa)

8.63

Base Dissociation Constant (pKb)

10.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

E002-2616 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with E002-2616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-2616?
Check Price and Availability of E002-2616, 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 E002-2616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-2616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-2616
  • 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 E002-2616 available by request