SA65-0861 Screening compound: 1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-4-{2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine

SA65-0861 Screening compound: 1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-4-{2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine
SA65-0861 Screening compound: 1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-4-{2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA65-0861
1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-4-{2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine

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

SA65-0861

Molecular Formula

C22H26FN5O2 (C22 H26 FN5 O2)

Compound Name

1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-4-{2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine

IUPAC name

1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-4-{2-[5-(4-fluorophenyl)-124-oxadiazol-3-yl]ethyl}piperidine

SMILES

CCn1ncc(C(N2CCC(CCc3noc(-c(cc4)ccc4F)n3)CC2)=O)c1C

InChI

InChI=1S/C22H26FN5O2/c1-3-28-15(2)19(14-24-28)22(29)27-12-10-16(11-13-27)4-9-20-25-21(30-26-20)17-5-7-18(23)8-6-17/h5-8,14,16H,3-4,9-13H2,1-2H3

InChI Key

SLAIYUVWFNPNCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32001969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.496

Distribution Coefficient, logD

3.496

Water Solubility, LogSw

-3.50

Polar Surface Area

63.208

Acid Dissociation Constant (pKa)

25.88

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

SA65-0861 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)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA65-0861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA65-0861?
Check Price and Availability of SA65-0861, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SA65-0861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA65-0861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA65-0861
  • 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 SA65-0861 available by request