S593-0848 Screening compound: 4-({2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl}sulfonyl)benzonitrile

S593-0848 Screening compound: 4-({2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl}sulfonyl)benzonitrile
S593-0848 Screening compound: 4-({2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl}sulfonyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S593-0848
4-({2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl}sulfonyl)benzonitrile

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

S593-0848

Molecular Formula

C16H18N4O4S (C16 H18 N4 O4 S)

Compound Name

4-({2-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl}sulfonyl)benzonitrile

IUPAC name

4-({2-[5-(ethoxymethyl)-124-oxadiazol-3-yl]pyrrolidin-1-yl}sulfonyl)benzonitrile

SMILES

CCOCc1nc(C(CCC2)N2S(c(cc2)ccc2C#N)(=O)=O)no1

InChI

InChI=1S/C16H18N4O4S/c1-2-23-11-15-18-16(19-24-15)14-4-3-9-20(14)25(21,22)13-7-5-12(10-17)6-8-13/h5-8,14H,2-4,9,11H2,1H3/t14-/m0/s1

InChI Key

VVSZTMCOFTUQBI-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD31963384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.686

Distribution Coefficient, logD

1.686

Water Solubility, LogSw

-2.38

Polar Surface Area

89.244

Acid Dissociation Constant (pKa)

27.15

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

S593-0848 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)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S593-0848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S593-0848?
Check Price and Availability of S593-0848, 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 S593-0848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S593-0848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S593-0848
  • 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 S593-0848 available by request