SA16-0747 Screening compound: 2-{5-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]-1,3,4-oxadiazol-2-yl}-1-(pyrrolidin-1-yl)ethan-1-one

SA16-0747 Screening compound: 2-{5-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]-1,3,4-oxadiazol-2-yl}-1-(pyrrolidin-1-yl)ethan-1-one
SA16-0747 Screening compound: 2-{5-[1-(1-methylcyclopropanecarbonyl)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 SA16-0747
2-{5-[1-(1-methylcyclopropanecarbonyl)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

SA16-0747

Molecular Formula

C18H26N4O3 (C18 H26 N4 O3)

Compound Name

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

IUPAC name

2-{5-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]-134-oxadiazol-2-yl}-1-(pyrrolidin-1-yl)ethan-1-one

SMILES

CC1(CC1)C(N(CC1)CCC1c1nnc(CC(N2CCCC2)=O)o1)=O

InChI

InChI=1S/C18H26N4O3/c1-18(6-7-18)17(24)22-10-4-13(5-11-22)16-20-19-14(25-16)12-15(23)21-8-2-3-9-21/h13H,2-12H2,1H3

InChI Key

VYLAIFQWTLJGRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32235474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.703

Distribution Coefficient, logD

0.703

Water Solubility, LogSw

-0.54

Polar Surface Area

64.078

Acid Dissociation Constant (pKa)

20.11

Base Dissociation Constant (pKb)

6.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

77.78

SA16-0747 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 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

Therapeutical areas:
  • Nervous system
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 SA16-0747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA16-0747?
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What is the minimum amount of SA16-0747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA16-0747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA16-0747
  • 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 SA16-0747 available by request