SA92-0854 Screening compound: 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-fluoropiperidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one

SA92-0854 Screening compound: 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-fluoropiperidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
SA92-0854 Screening compound: 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-fluoropiperidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA92-0854
1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-fluoropiperidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-1-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

SA92-0854

Molecular Formula

C17H22FN5O2 (C17 H22 FN5 O2)

Compound Name

1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-fluoropiperidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one

IUPAC name

1-[3-(3-cyclopropyl-124-oxadiazol-5-yl)-3-fluoropiperidin-1-yl]-2-(35-dimethyl-1H-pyrazol-1-yl)ethan-1-one

SMILES

Cc1cc(C)nn1CC(N(CCC1)CC1(c1nc(C2CC2)no1)F)=O

InChI

InChI=1S/C17H22FN5O2/c1-11-8-12(2)23(20-11)9-14(24)22-7-3-6-17(18,10-22)16-19-15(21-25-16)13-4-5-13/h8,13H,3-7,9-10H2,1-2H3/t17-/m0/s1

InChI Key

PYIKSRAFJNVVRI-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32241467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.365

Distribution Coefficient, logD

1.365

Water Solubility, LogSw

-1.47

Polar Surface Area

62.229

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.71

SA92-0854 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 SA92-0854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA92-0854?
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What is the minimum amount of SA92-0854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA92-0854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA92-0854
  • 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 SA92-0854 available by request