SA92-0046 Screening compound: 1-{4-[3-fluoro-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-1-yl}ethan-1-one

SA92-0046 Screening compound: 1-{4-[3-fluoro-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-1-yl}ethan-1-one
SA92-0046 Screening compound: 1-{4-[3-fluoro-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA92-0046
1-{4-[3-fluoro-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-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

SA92-0046

Molecular Formula

C21H25FN4O3 (C21 H25 FN4 O3)

Compound Name

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

IUPAC name

1-{4-[3-fluoro-3-(3-phenyl-124-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-1-yl}ethan-1-one

SMILES

CC(N(CC1)CCC1C(N(CCC1)CC1(c1nc(-c2ccccc2)no1)F)=O)=O

InChI

InChI=1S/C21H25FN4O3/c1-15(27)25-12-8-17(9-13-25)19(28)26-11-5-10-21(22,14-26)20-23-18(24-29-20)16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-14H2,1H3/t21-/m0/s1

InChI Key

XWQRHSBPKMRMBW-NRFANRHFSA-N

MDL Number (MFCD)

MFCD32241936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.45

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

2.556

Distribution Coefficient, logD

2.556

Water Solubility, LogSw

-2.45

Polar Surface Area

65.614

Acid Dissociation Constant (pKa)

23.36

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

SA92-0046 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)

PPI Inhibitors Tripeptide Mimetics (23972 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
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA92-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA92-0046?
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What is the minimum amount of SA92-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA92-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA92-0046
  • 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 SA92-0046 available by request