S069-0612 Screening compound: 3-phenyl-1-{3-[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]-1-pyrrolidinyl}-1-propanone

S069-0612 Screening compound: 3-phenyl-1-{3-[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]-1-pyrrolidinyl}-1-propanone
S069-0612 Screening compound: 3-phenyl-1-{3-[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]-1-pyrrolidinyl}-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S069-0612
3-phenyl-1-{3-[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]-1-pyrrolidinyl}-1-propanone

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

S069-0612

Molecular Formula

C20H20N4O2 (C20 H20 N4 O2)

Compound Name

3-phenyl-1-{3-[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]-1-pyrrolidinyl}-1-propanone

IUPAC name

3-phenyl-1-{3-[5-(pyridin-4-yl)-124-oxadiazol-3-yl]pyrrolidin-1-yl}propan-1-one

SMILES

O=C(CCc1ccccc1)N(CC1)CC1c1noc(-c2ccncc2)n1

InChI

InChI=1S/C20H20N4O2/c25-18(7-6-15-4-2-1-3-5-15)24-13-10-17(14-24)19-22-20(26-23-19)16-8-11-21-12-9-16/h1-5,8-9,11-12,17H,6-7,10,13-14H2/t17-/m1/s1

InChI Key

QFYPTCDCEZKGSN-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD28993845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.875

Distribution Coefficient, logD

2.874

Water Solubility, LogSw

-2.82

Polar Surface Area

57.493

Acid Dissociation Constant (pKa)

22.97

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

S069-0612 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S069-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S069-0612?
Check Price and Availability of S069-0612, 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 S069-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S069-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S069-0612
  • 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 S069-0612 available by request