S688-2421 Screening compound: 4-cyano-N-[1-(cyclopropylmethyl)-4-(2-methoxyethyl)piperidin-4-yl]benzene-1-sulfonamide

S688-2421 Screening compound: 4-cyano-N-[1-(cyclopropylmethyl)-4-(2-methoxyethyl)piperidin-4-yl]benzene-1-sulfonamide
S688-2421 Screening compound: 4-cyano-N-[1-(cyclopropylmethyl)-4-(2-methoxyethyl)piperidin-4-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S688-2421
4-cyano-N-[1-(cyclopropylmethyl)-4-(2-methoxyethyl)piperidin-4-yl]benzene-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

S688-2421

Molecular Formula

C19H27N3O3S (C19 H27 N3 O3 S)

Compound Name

4-cyano-N-[1-(cyclopropylmethyl)-4-(2-methoxyethyl)piperidin-4-yl]benzene-1-sulfonamide

IUPAC name

4-cyano-N-[1-(cyclopropylmethyl)-4-(2-methoxyethyl)piperidin-4-yl]benzene-1-sulfonamide

SMILES

COCCC1(CCN(CC2CC2)CC1)NS(c(cc1)ccc1C#N)(=O)=O

InChI

InChI=1S/C19H27N3O3S/c1-25-13-10-19(8-11-22(12-9-19)15-17-2-3-17)21-26(23,24)18-6-4-16(14-20)5-7-18/h4-7,17,21H,2-3,8-13,15H2,1H3

InChI Key

VSMWNROVQMJYBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32225376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.120

Distribution Coefficient, logD

-0.976

Water Solubility, LogSw

-2.81

Polar Surface Area

71.715

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

10.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.16

S688-2421 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Mimetics
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with S688-2421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S688-2421?
Check Price and Availability of S688-2421, 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 S688-2421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S688-2421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S688-2421
  • 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 S688-2421 available by request