SA92-0580 Screening compound: 1-{3-fluoro-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-(pyridin-3-yl)ethan-1-one

SA92-0580 Screening compound: 1-{3-fluoro-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-(pyridin-3-yl)ethan-1-one
SA92-0580 Screening compound: 1-{3-fluoro-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-(pyridin-3-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA92-0580
1-{3-fluoro-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-(pyridin-3-yl)ethan-1-one

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

SA92-0580

Molecular Formula

C19H18FN5O2 (C19 H18 FN5 O2)

Compound Name

1-{3-fluoro-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-(pyridin-3-yl)ethan-1-one

IUPAC name

1-{3-fluoro-3-[3-(pyridin-3-yl)-124-oxadiazol-5-yl]piperidin-1-yl}-2-(pyridin-3-yl)ethan-1-one

SMILES

O=C(Cc1cnccc1)N(CCC1)CC1(c1nc(-c2cnccc2)no1)F

InChI

InChI=1S/C19H18FN5O2/c20-19(18-23-17(24-27-18)15-5-2-8-22-12-15)6-3-9-25(13-19)16(26)10-14-4-1-7-21-11-14/h1-2,4-5,7-8,11-12H,3,6,9-10,13H2/t19-/m0/s1

InChI Key

XPRFPPJWAKKFDN-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32242847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.481

Distribution Coefficient, logD

0.842

Water Solubility, LogSw

-1.05

Polar Surface Area

66.734

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

SA92-0580 in Drug Discovery

Included in Screening Libraries

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

NOTUM (Wnt signaling) Library (3881 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 SA92-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA92-0580?
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What is the minimum amount of SA92-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA92-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA92-0580
  • 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 SA92-0580 available by request