S068-0357 Screening compound: 5-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole

S068-0357 Screening compound: 5-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole
S068-0357 Screening compound: 5-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S068-0357
5-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]-3-phenyl-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

S068-0357

Molecular Formula

C17H14ClN3O2S (C17 H14 ClN3 O2 S)

Compound Name

5-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole

IUPAC name

5-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]-3-phenyl-124-oxadiazole

SMILES

O=C(c(s1)ccc1Cl)N(CC1)CC1c1nc(-c2ccccc2)no1

InChI

InChI=1S/C17H14ClN3O2S/c18-14-7-6-13(24-14)17(22)21-9-8-12(10-21)16-19-15(20-23-16)11-4-2-1-3-5-11/h1-7,12H,8-10H2/t12-/m1/s1

InChI Key

KAEZNUGAZJEMBK-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD29031140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.750

Distribution Coefficient, logD

4.750

Water Solubility, LogSw

-4.96

Polar Surface Area

49.610

Acid Dissociation Constant (pKa)

26.38

Base Dissociation Constant (pKb)

-3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

S068-0357 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)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S068-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S068-0357?
Check Price and Availability of S068-0357, 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 S068-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S068-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S068-0357
  • 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 S068-0357 available by request