SA92-0587 Screening compound: 3-{5-[3-fluoro-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl}pyridine

SA92-0587 Screening compound: 3-{5-[3-fluoro-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl}pyridine
SA92-0587 Screening compound: 3-{5-[3-fluoro-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA92-0587
3-{5-[3-fluoro-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazol-3-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

SA92-0587

Molecular Formula

C17H21FN4O2 (C17 H21 FN4 O2)

Compound Name

3-{5-[3-fluoro-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl}pyridine

IUPAC name

3-{5-[3-fluoro-1-(oxan-4-yl)piperidin-3-yl]-124-oxadiazol-3-yl}pyridine

SMILES

FC(CCC1)(CN1C1CCOCC1)c1nc(-c2cnccc2)no1

InChI

InChI=1S/C17H21FN4O2/c18-17(6-2-8-22(12-17)14-4-9-23-10-5-14)16-20-15(21-24-16)13-3-1-7-19-11-13/h1,3,7,11,14H,2,4-6,8-10,12H2/t17-/m0/s1

InChI Key

SDIZHOBCBPSSGI-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32242967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.595

Distribution Coefficient, logD

0.956

Water Solubility, LogSw

-1.13

Polar Surface Area

52.290

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

SA92-0587 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 SA92-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA92-0587?
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What is the minimum amount of SA92-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA92-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA92-0587
  • 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 SA92-0587 available by request