S593-0200 Screening compound: 5-[(benzyloxy)methyl]-3-[1-(4-fluorobenzenesulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

S593-0200 Screening compound: 5-[(benzyloxy)methyl]-3-[1-(4-fluorobenzenesulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
S593-0200 Screening compound: 5-[(benzyloxy)methyl]-3-[1-(4-fluorobenzenesulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S593-0200
5-[(benzyloxy)methyl]-3-[1-(4-fluorobenzenesulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

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

S593-0200

Molecular Formula

C20H20FN3O4S (C20 H20 FN3 O4 S)

Compound Name

5-[(benzyloxy)methyl]-3-[1-(4-fluorobenzenesulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

IUPAC name

5-[(benzyloxy)methyl]-3-[1-(4-fluorobenzenesulfonyl)pyrrolidin-2-yl]-124-oxadiazole

SMILES

O=S(c(cc1)ccc1F)(N(CCC1)C1c1noc(COCc2ccccc2)n1)=O

InChI

InChI=1S/C20H20FN3O4S/c21-16-8-10-17(11-9-16)29(25,26)24-12-4-7-18(24)20-22-19(28-23-20)14-27-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2/t18-/m0/s1

InChI Key

RXPVAULEKQQWFB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31979948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.334

Distribution Coefficient, logD

3.334

Water Solubility, LogSw

-3.58

Polar Surface Area

72.292

Acid Dissociation Constant (pKa)

27.07

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

S593-0200 in Drug Discovery

Included in Screening Libraries

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

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
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S593-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S593-0200?
Check Price and Availability of S593-0200, 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 S593-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S593-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S593-0200
  • 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 S593-0200 available by request