S688-0891 Screening compound: N-[4-(2-methoxyethyl)-1-(thiophene-2-sulfonyl)piperidin-4-yl]methanesulfonamide

S688-0891 Screening compound: N-[4-(2-methoxyethyl)-1-(thiophene-2-sulfonyl)piperidin-4-yl]methanesulfonamide
S688-0891 Screening compound: N-[4-(2-methoxyethyl)-1-(thiophene-2-sulfonyl)piperidin-4-yl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S688-0891
N-[4-(2-methoxyethyl)-1-(thiophene-2-sulfonyl)piperidin-4-yl]methanesulfonamide

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

S688-0891

Molecular Formula

C13H22N2O5S3 (C13 H22 N2 O5 S3)

Compound Name

N-[4-(2-methoxyethyl)-1-(thiophene-2-sulfonyl)piperidin-4-yl]methanesulfonamide

IUPAC name

N-[4-(2-methoxyethyl)-1-(thiophene-2-sulfonyl)piperidin-4-yl]methanesulfonamide

SMILES

COCCC(CC1)(CCN1S(c1cccs1)(=O)=O)NS(C)(=O)=O

InChI

InChI=1S/C13H22N2O5S3/c1-20-10-7-13(14-22(2,16)17)5-8-15(9-6-13)23(18,19)12-4-3-11-21-12/h3-4,11,14H,5-10H2,1-2H3

InChI Key

OHIZPICZHDDWNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31977116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.695

Distribution Coefficient, logD

0.695

Water Solubility, LogSw

-2.14

Polar Surface Area

84.350

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-4.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.23

S688-0891 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S688-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S688-0891?
Check Price and Availability of S688-0891, 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 S688-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S688-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S688-0891
  • 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 S688-0891 available by request