S826-6564 Screening compound: {1-[(pyridin-2-yl)methyl]-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl}methanol

S826-6564 Screening compound: {1-[(pyridin-2-yl)methyl]-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl}methanol
S826-6564 Screening compound: {1-[(pyridin-2-yl)methyl]-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S826-6564
{1-[(pyridin-2-yl)methyl]-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl}methanol

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

S826-6564

Molecular Formula

C18H19N5O2 (C18 H19 N5 O2)

Compound Name

{1-[(pyridin-2-yl)methyl]-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl}methanol

IUPAC name

[(3S4S)-1-[(pyridin-2-yl)methyl]-4-[3-(pyridin-3-yl)-124-oxadiazol-5-yl]pyrrolidin-3-yl]methanol

SMILES

OC[C@@H](CN(Cc1ncccc1)C1)[C@H]1c1nc(-c2cnccc2)no1

InChI

InChI=1S/C18H19N5O2/c24-12-14-9-23(10-15-5-1-2-7-20-15)11-16(14)18-21-17(22-25-18)13-4-3-6-19-8-13/h1-8,14,16,24H,9-12H2/t14-,16+/m1/s1

InChI Key

AYOPWQDVKRJSMO-ZBFHGGJFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.079

Distribution Coefficient, logD

-0.312

Water Solubility, LogSw

-1.58

Polar Surface Area

71.786

Acid Dissociation Constant (pKa)

16.23

Base Dissociation Constant (pKb)

8.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.33

S826-6564 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S826-6564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S826-6564?
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What is the minimum amount of S826-6564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S826-6564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S826-6564
  • 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 S826-6564 available by request