3730-1685 Screening compound: N-(2-ethoxyphenyl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}benzenesulfonamide

3730-1685 Screening compound: N-(2-ethoxyphenyl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}benzenesulfonamide
3730-1685 Screening compound: N-(2-ethoxyphenyl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3730-1685
N-(2-ethoxyphenyl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}benzenesulfonamide

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

3730-1685

Molecular Formula

C27H31N3O5S (C27 H31 N3 O5 S)

Compound Name

N-(2-ethoxyphenyl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}benzenesulfonamide

IUPAC name

N-(2-ethoxyphenyl)-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}benzenesulfonamide

SMILES

CCOc(cccc1)c1N(CC(N(CC1)CCN1c(cccc1)c1OC)=O)S(c1ccccc1)(=O)=O

InChI

InChI=1S/C27H31N3O5S/c1-3-35-26-16-10-8-14-24(26)30(36(32,33)22-11-5-4-6-12-22)21-27(31)29-19-17-28(18-20-29)23-13-7-9-15-25(23)34-2/h4-16H,3,17-21H2,1-2H3

InChI Key

IHMXOOGYFPTLQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01968705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.719

Distribution Coefficient, logD

3.719

Water Solubility, LogSw

-3.97

Polar Surface Area

65.684

Acid Dissociation Constant (pKa)

20.71

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

3730-1685 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3730-1685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3730-1685?
Check Price and Availability of 3730-1685, 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 3730-1685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3730-1685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3730-1685
  • 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 3730-1685 available by request