SA16-0843 Screening compound: 2-{5-[1-(1-METHYL-1H-PYRAZOLE-3-CARBONYL)PIPERIDIN-4-YL]-1,3,4-OXADIAZOL-2-YL}-1-(PYRROLIDIN-1-YL)ETHAN-1-ONE

SA16-0843 Screening compound: 2-{5-[1-(1-METHYL-1H-PYRAZOLE-3-CARBONYL)PIPERIDIN-4-YL]-1,3,4-OXADIAZOL-2-YL}-1-(PYRROLIDIN-1-YL)ETHAN-1-ONE
SA16-0843 Screening compound: 2-{5-[1-(1-METHYL-1H-PYRAZOLE-3-CARBONYL)PIPERIDIN-4-YL]-1,3,4-OXADIAZOL-2-YL}-1-(PYRROLIDIN-1-YL)ETHAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound SA16-0843
2-{5-[1-(1-METHYL-1H-PYRAZOLE-3-CARBONYL)PIPERIDIN-4-YL]-1,3,4-OXADIAZOL-2-YL}-1-(PYRROLIDIN-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

SA16-0843

Molecular Formula

C18H24N6O3 (C18 H24 N6 O3)

Compound Name

2-{5-[1-(1-METHYL-1H-PYRAZOLE-3-CARBONYL)PIPERIDIN-4-YL]-1,3,4-OXADIAZOL-2-YL}-1-(PYRROLIDIN-1-YL)ETHAN-1-ONE

IUPAC name

2-{5-[1-(1-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-134-oxadiazol-2-yl}-1-(pyrrolidin-1-yl)ethan-1-one

SMILES

Cn(cc1)nc1C(N(CC1)CCC1c1nnc(CC(N2CCCC2)=O)o1)=O

InChI

InChI=1S/C18H24N6O3/c1-22-9-6-14(21-22)18(26)24-10-4-13(5-11-24)17-20-19-15(27-17)12-16(25)23-7-2-3-8-23/h6,9,13H,2-5,7-8,10-12H2,1H3

InChI Key

RNPZGZJGADKBTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32235890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.013

Distribution Coefficient, logD

0.013

Water Solubility, LogSw

-1.04

Polar Surface Area

78.247

Acid Dissociation Constant (pKa)

20.11

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.11

SA16-0843 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)

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 SA16-0843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA16-0843?
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What is the minimum amount of SA16-0843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA16-0843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA16-0843
  • 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 SA16-0843 available by request