S069-4214 Screening compound: 2-[3-(pyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]pyridine

S069-4214 Screening compound: 2-[3-(pyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]pyridine
S069-4214 Screening compound: 2-[3-(pyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S069-4214
2-[3-(pyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]pyridine

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

S069-4214

Molecular Formula

C11H12N4O (C11 H12 N4 O)

Compound Name

2-[3-(pyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]pyridine

IUPAC name

2-[3-(pyrrolidin-3-yl)-124-oxadiazol-5-yl]pyridine

SMILES

C(CNC1)C1c1noc(-c2ncccc2)n1

InChI

InChI=1S/C11H12N4O/c1-2-5-13-9(3-1)11-14-10(15-16-11)8-4-6-12-7-8/h1-3,5,8,12H,4,6-7H2/t8-/m0/s1

InChI Key

WMOAUNZXFBADQD-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD18261062

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

216.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.969

Distribution Coefficient, logD

-2.042

Water Solubility, LogSw

-1.45

Polar Surface Area

53.142

Acid Dissociation Constant (pKa)

25.64

Base Dissociation Constant (pKb)

10.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

S069-4214 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S069-4214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S069-4214?
Check Price and Availability of S069-4214, 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 S069-4214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S069-4214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S069-4214
  • 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 S069-4214 available by request