E002-2776 Screening compound: 3-(3-nitrobenzamido)-N,N-dipropyl-1-benzofuran-2-carboxamide

E002-2776 Screening compound: 3-(3-nitrobenzamido)-N,N-dipropyl-1-benzofuran-2-carboxamide
E002-2776 Screening compound: 3-(3-nitrobenzamido)-N,N-dipropyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-2776
3-(3-nitrobenzamido)-N,N-dipropyl-1-benzofuran-2-carboxamide

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

E002-2776

Molecular Formula

C22H23N3O5 (C22 H23 N3 O5)

Compound Name

3-(3-nitrobenzamido)-N,N-dipropyl-1-benzofuran-2-carboxamide

IUPAC name

3-(3-nitrobenzamido)-NN-dipropyl-1-benzofuran-2-carboxamide

SMILES

CCCN(CCC)C(c(oc1c2cccc1)c2NC(c1cccc([N+]([O-])=O)c1)=O)=O

InChI

InChI=1S/C22H23N3O5/c1-3-12-24(13-4-2)22(27)20-19(17-10-5-6-11-18(17)30-20)23-21(26)15-8-7-9-16(14-15)25(28)29/h5-11,14H,3-4,12-13H2,1-2H3,(H,23,26)

InChI Key

VYTPSEDMYKXGBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.217

Distribution Coefficient, logD

2.837

Water Solubility, LogSw

-4.22

Polar Surface Area

80.281

Acid Dissociation Constant (pKa)

6.04

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E002-2776 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E002-2776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-2776?
Check Price and Availability of E002-2776, 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 E002-2776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-2776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-2776
  • 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 E002-2776 available by request