E002-2617 Screening compound: N-(2-{4-[(3-ethoxypropyl)(methyl)amino]piperidine-1-carbonyl}-1-benzofuran-3-yl)-2-(4-nitrophenyl)acetamide

E002-2617 Screening compound: N-(2-{4-[(3-ethoxypropyl)(methyl)amino]piperidine-1-carbonyl}-1-benzofuran-3-yl)-2-(4-nitrophenyl)acetamide
E002-2617 Screening compound: N-(2-{4-[(3-ethoxypropyl)(methyl)amino]piperidine-1-carbonyl}-1-benzofuran-3-yl)-2-(4-nitrophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-2617
N-(2-{4-[(3-ethoxypropyl)(methyl)amino]piperidine-1-carbonyl}-1-benzofuran-3-yl)-2-(4-nitrophenyl)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

E002-2617

Molecular Formula

C28H34N4O6 (C28 H34 N4 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOCCCN(C)C(CC1)CCN1C(c(oc1c2cccc1)c2NC(Cc(cc1)ccc1[N+]([O-])=O)=O)=O

InChI

InChI=1S/C28H34N4O6/c1-3-37-18-6-15-30(2)21-13-16-31(17-14-21)28(34)27-26(23-7-4-5-8-24(23)38-27)29-25(33)19-20-9-11-22(12-10-20)32(35)36/h4-5,7-12,21H,3,6,13-19H2,1-2H3,(H,29,33)

InChI Key

SQXFLZJKENBNNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.396

Distribution Coefficient, logD

0.389

Water Solubility, LogSw

-3.56

Polar Surface Area

91.099

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

10.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

E002-2617 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E002-2617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-2617?
Check Price and Availability of E002-2617, 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 E002-2617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-2617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-2617
  • 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 E002-2617 available by request