S942-0085 Screening compound: 4-fluoro-N,N-dimethyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide

S942-0085 Screening compound: 4-fluoro-N,N-dimethyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide
S942-0085 Screening compound: 4-fluoro-N,N-dimethyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S942-0085
4-fluoro-N,N-dimethyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine-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

S942-0085

Molecular Formula

C13H23FN4O3S (C13 H23 FN4 O3 S)

Compound Name

4-fluoro-N,N-dimethyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide

IUPAC name

4-fluoro-NN-dimethyl-4-[3-(2-methylpropyl)-124-oxadiazol-5-yl]piperidine-1-sulfonamide

SMILES

CC(C)Cc1noc(C(CC2)(CCN2S(N(C)C)(=O)=O)F)n1

InChI

InChI=1S/C13H23FN4O3S/c1-10(2)9-11-15-12(21-16-11)13(14)5-7-18(8-6-13)22(19,20)17(3)4/h10H,5-9H2,1-4H3

InChI Key

CYEQAJHYJJTGCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31995021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.992

Distribution Coefficient, logD

1.992

Water Solubility, LogSw

-2.16

Polar Surface Area

68.976

Acid Dissociation Constant (pKa)

25.29

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

84.61

S942-0085 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 S942-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S942-0085?
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What is the minimum amount of S942-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S942-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S942-0085
  • 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 S942-0085 available by request