SA92-0548 Screening compound: 2-ethyl-1-{3-fluoro-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one

SA92-0548 Screening compound: 2-ethyl-1-{3-fluoro-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one
SA92-0548 Screening compound: 2-ethyl-1-{3-fluoro-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA92-0548
2-ethyl-1-{3-fluoro-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-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

SA92-0548

Molecular Formula

C18H23FN4O2 (C18 H23 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H23FN4O2/c1-3-13(4-2)16(24)23-10-6-8-18(19,12-23)17-21-15(22-25-17)14-7-5-9-20-11-14/h5,7,9,11,13H,3-4,6,8,10,12H2,1-2H3/t18-/m0/s1

InChI Key

WPHDKUAEGWROBH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32242342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.965

Distribution Coefficient, logD

2.326

Water Solubility, LogSw

-2.66

Polar Surface Area

58.015

Acid Dissociation Constant (pKa)

23.36

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

SA92-0548 in Drug Discovery

Included in Screening Libraries

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA92-0548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA92-0548?
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What is the minimum amount of SA92-0548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA92-0548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA92-0548
  • 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 SA92-0548 available by request