S690-2047 Screening compound: 4-[(1-methanesulfonylpiperidin-4-yl)methyl]-N-phenylbenzamide

S690-2047 Screening compound: 4-[(1-methanesulfonylpiperidin-4-yl)methyl]-N-phenylbenzamide
S690-2047 Screening compound: 4-[(1-methanesulfonylpiperidin-4-yl)methyl]-N-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S690-2047
4-[(1-methanesulfonylpiperidin-4-yl)methyl]-N-phenylbenzamide

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

S690-2047

Molecular Formula

C20H24N2O3S (C20 H24 N2 O3 S)

Compound Name

4-[(1-methanesulfonylpiperidin-4-yl)methyl]-N-phenylbenzamide

IUPAC name

4-[(1-methanesulfonylpiperidin-4-yl)methyl]-N-phenylbenzamide

SMILES

CS(N1CCC(Cc(cc2)ccc2C(Nc2ccccc2)=O)CC1)(=O)=O

InChI

InChI=1S/C20H24N2O3S/c1-26(24,25)22-13-11-17(12-14-22)15-16-7-9-18(10-8-16)20(23)21-19-5-3-2-4-6-19/h2-10,17H,11-15H2,1H3,(H,21,23)

InChI Key

DODLREUIENGMLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31966163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.356

Distribution Coefficient, logD

3.356

Water Solubility, LogSw

-3.73

Polar Surface Area

54.533

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

S690-2047 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S690-2047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S690-2047?
Check Price and Availability of S690-2047, 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 S690-2047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S690-2047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S690-2047
  • 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 S690-2047 available by request