S690-1969 Screening compound: 4-[(1-methanesulfonylpiperidin-4-yl)methyl]-N-(4-methylphenyl)benzamide

S690-1969 Screening compound: 4-[(1-methanesulfonylpiperidin-4-yl)methyl]-N-(4-methylphenyl)benzamide
S690-1969 Screening compound: 4-[(1-methanesulfonylpiperidin-4-yl)methyl]-N-(4-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S690-1969
4-[(1-methanesulfonylpiperidin-4-yl)methyl]-N-(4-methylphenyl)benzamide

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

S690-1969

Molecular Formula

C21H26N2O3S (C21 H26 N2 O3 S)

Compound Name

4-[(1-methanesulfonylpiperidin-4-yl)methyl]-N-(4-methylphenyl)benzamide

IUPAC name

4-[(1-methanesulfonylpiperidin-4-yl)methyl]-N-(4-methylphenyl)benzamide

SMILES

Cc(cc1)ccc1NC(c1ccc(CC(CC2)CCN2S(C)(=O)=O)cc1)=O

InChI

InChI=1S/C21H26N2O3S/c1-16-3-9-20(10-4-16)22-21(24)19-7-5-17(6-8-19)15-18-11-13-23(14-12-18)27(2,25)26/h3-10,18H,11-15H2,1-2H3,(H,22,24)

InChI Key

YSMQFHVFVBXTGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31987414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.52

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

3.971

Distribution Coefficient, logD

3.971

Water Solubility, LogSw

-3.98

Polar Surface Area

54.533

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

S690-1969 in Drug Discovery

Included in Screening Libraries

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

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S690-1969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S690-1969?
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What is the minimum amount of S690-1969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S690-1969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S690-1969
  • 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 S690-1969 available by request