SA92-0586 Screening compound: 3-{5-[3-fluoro-1-(oxane-4-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl}pyridine

SA92-0586 Screening compound: 3-{5-[3-fluoro-1-(oxane-4-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl}pyridine
SA92-0586 Screening compound: 3-{5-[3-fluoro-1-(oxane-4-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA92-0586
3-{5-[3-fluoro-1-(oxane-4-carbonyl)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

SA92-0586

Molecular Formula

C18H21FN4O3 (C18 H21 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CCOCC1)N(CCC1)CC1(c1nc(-c2cnccc2)no1)F

InChI

InChI=1S/C18H21FN4O3/c19-18(17-21-15(22-26-17)14-3-1-7-20-11-14)6-2-8-23(12-18)16(24)13-4-9-25-10-5-13/h1,3,7,11,13H,2,4-6,8-10,12H2/t18-/m0/s1

InChI Key

FOQMBNAWSMZAJP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32242853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.691

Distribution Coefficient, logD

1.052

Water Solubility, LogSw

-1.27

Polar Surface Area

65.844

Acid Dissociation Constant (pKa)

23.37

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

SA92-0586 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA92-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA92-0586?
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What is the minimum amount of SA92-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA92-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA92-0586
  • 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 SA92-0586 available by request