SA92-0558 Screening compound: 3-fluoro-N-(2-fluorophenyl)-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

SA92-0558 Screening compound: 3-fluoro-N-(2-fluorophenyl)-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SA92-0558 Screening compound: 3-fluoro-N-(2-fluorophenyl)-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA92-0558
3-fluoro-N-(2-fluorophenyl)-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

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

SA92-0558

Molecular Formula

C19H17F2N5O2 (C19 H17 F2 N5 O2)

Compound Name

3-fluoro-N-(2-fluorophenyl)-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

IUPAC name

3-fluoro-N-(2-fluorophenyl)-3-[3-(pyridin-3-yl)-124-oxadiazol-5-yl]piperidine-1-carboxamide

SMILES

O=C(Nc(cccc1)c1F)N(CCC1)CC1(c1nc(-c2cnccc2)no1)F

InChI

InChI=1S/C19H17F2N5O2/c20-14-6-1-2-7-15(14)23-18(27)26-10-4-8-19(21,12-26)17-24-16(25-28-17)13-5-3-9-22-11-13/h1-3,5-7,9,11H,4,8,10,12H2,(H,23,27)/t19-/m0/s1

InChI Key

DEIZLSUQCXSNPB-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32242471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.959

Distribution Coefficient, logD

2.320

Water Solubility, LogSw

-2.99

Polar Surface Area

65.867

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.32

SA92-0558 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SA92-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA92-0558?
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What is the minimum amount of SA92-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA92-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA92-0558
  • 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 SA92-0558 available by request