S615-0113 Screening compound: 3-[2-(benzyloxy)ethyl]-5-[1-(2-methylbenzenesulfonyl)pyrrolidin-3-yl]-1,2,4-oxadiazole

S615-0113 Screening compound: 3-[2-(benzyloxy)ethyl]-5-[1-(2-methylbenzenesulfonyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
S615-0113 Screening compound: 3-[2-(benzyloxy)ethyl]-5-[1-(2-methylbenzenesulfonyl)pyrrolidin-3-yl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S615-0113
3-[2-(benzyloxy)ethyl]-5-[1-(2-methylbenzenesulfonyl)pyrrolidin-3-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

S615-0113

Molecular Formula

C22H25N3O4S (C22 H25 N3 O4 S)

Compound Name

3-[2-(benzyloxy)ethyl]-5-[1-(2-methylbenzenesulfonyl)pyrrolidin-3-yl]-1,2,4-oxadiazole

IUPAC name

3-[2-(benzyloxy)ethyl]-5-[1-(2-methylbenzenesulfonyl)pyrrolidin-3-yl]-124-oxadiazole

SMILES

Cc(cccc1)c1S(N(CC1)CC1c1nc(CCOCc2ccccc2)no1)(=O)=O

InChI

InChI=1S/C22H25N3O4S/c1-17-7-5-6-10-20(17)30(26,27)25-13-11-19(15-25)22-23-21(24-29-22)12-14-28-16-18-8-3-2-4-9-18/h2-10,19H,11-16H2,1H3/t19-/m1/s1

InChI Key

BWNGQQOVVJSARV-LJQANCHMSA-N

MDL Number (MFCD)

MFCD31974172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.711

Distribution Coefficient, logD

3.711

Water Solubility, LogSw

-3.85

Polar Surface Area

72.998

Acid Dissociation Constant (pKa)

25.96

Base Dissociation Constant (pKb)

-3.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

S615-0113 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 S615-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S615-0113?
Check Price and Availability of S615-0113, 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 S615-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S615-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S615-0113
  • 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 S615-0113 available by request