S690-2042 Screening compound: 4-[(1-methanesulfonylpiperidin-4-yl)methyl]-N-methylbenzamide

S690-2042 Screening compound: 4-[(1-methanesulfonylpiperidin-4-yl)methyl]-N-methylbenzamide
S690-2042 Screening compound: 4-[(1-methanesulfonylpiperidin-4-yl)methyl]-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S690-2042
4-[(1-methanesulfonylpiperidin-4-yl)methyl]-N-methylbenzamide

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

S690-2042

Molecular Formula

C15H22N2O3S (C15 H22 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CNC(c1ccc(CC(CC2)CCN2S(C)(=O)=O)cc1)=O

InChI

InChI=1S/C15H22N2O3S/c1-16-15(18)14-5-3-12(4-6-14)11-13-7-9-17(10-8-13)21(2,19)20/h3-6,13H,7-11H2,1-2H3,(H,16,18)

InChI Key

KGTWSEWYLIOKLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31983533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.636

Distribution Coefficient, logD

1.636

Water Solubility, LogSw

-2.47

Polar Surface Area

56.277

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.33

S690-2042 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S690-2042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S690-2042?
Check Price and Availability of S690-2042, 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 S690-2042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S690-2042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S690-2042
  • 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 S690-2042 available by request