S935-0158 Screening compound: 2-(3-{[1-(2-fluorobenzenesulfonyl)pyrrolidin-2-yl]methyl}-1,2,4-oxadiazol-5-yl)pyrazine

S935-0158 Screening compound: 2-(3-{[1-(2-fluorobenzenesulfonyl)pyrrolidin-2-yl]methyl}-1,2,4-oxadiazol-5-yl)pyrazine
S935-0158 Screening compound: 2-(3-{[1-(2-fluorobenzenesulfonyl)pyrrolidin-2-yl]methyl}-1,2,4-oxadiazol-5-yl)pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound S935-0158
2-(3-{[1-(2-fluorobenzenesulfonyl)pyrrolidin-2-yl]methyl}-1,2,4-oxadiazol-5-yl)pyrazine

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

S935-0158

Molecular Formula

C17H16FN5O3S (C17 H16 FN5 O3 S)

Compound Name

2-(3-{[1-(2-fluorobenzenesulfonyl)pyrrolidin-2-yl]methyl}-1,2,4-oxadiazol-5-yl)pyrazine

IUPAC name

2-(3-{[1-(2-fluorobenzenesulfonyl)pyrrolidin-2-yl]methyl}-124-oxadiazol-5-yl)pyrazine

SMILES

O=S(c(cccc1)c1F)(N1C(Cc2noc(-c3nccnc3)n2)CCC1)=O

InChI

InChI=1S/C17H16FN5O3S/c18-13-5-1-2-6-15(13)27(24,25)23-9-3-4-12(23)10-16-21-17(26-22-16)14-11-19-7-8-20-14/h1-2,5-8,11-12H,3-4,9-10H2/t12-/m1/s1

InChI Key

IQVHXGUNPVFILE-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD32228632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.707

Distribution Coefficient, logD

1.707

Water Solubility, LogSw

-1.83

Polar Surface Area

83.700

Acid Dissociation Constant (pKa)

25.63

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.41

S935-0158 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S935-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S935-0158?
Check Price and Availability of S935-0158, 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 S935-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S935-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S935-0158
  • 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 S935-0158 available by request