4577-2126 Screening compound: 4-ethoxy-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-phenylbenzene-1-sulfonamide

4577-2126 Screening compound: 4-ethoxy-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-phenylbenzene-1-sulfonamide
4577-2126 Screening compound: 4-ethoxy-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-phenylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4577-2126
4-ethoxy-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-phenylbenzene-1-sulfonamide

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

4577-2126

Molecular Formula

C22H28N2O4S (C22 H28 N2 O4 S)

Compound Name

4-ethoxy-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-phenylbenzene-1-sulfonamide

IUPAC name

4-ethoxy-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-phenylbenzene-1-sulfonamide

SMILES

CCOc(cc1)ccc1S(N(CC(N1CCC(C)CC1)=O)c1ccccc1)(=O)=O

InChI

InChI=1S/C22H28N2O4S/c1-3-28-20-9-11-21(12-10-20)29(26,27)24(19-7-5-4-6-8-19)17-22(25)23-15-13-18(2)14-16-23/h4-12,18H,3,13-17H2,1-2H3

InChI Key

ZAKGXJOGDWYFDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03119438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.606

Distribution Coefficient, logD

3.606

Water Solubility, LogSw

-3.59

Polar Surface Area

55.308

Acid Dissociation Constant (pKa)

20.71

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

4577-2126 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4577-2126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4577-2126?
Check Price and Availability of 4577-2126, 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 4577-2126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4577-2126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4577-2126
  • 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 4577-2126 available by request