SA65-0852 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-{2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)ethan-1-one

SA65-0852 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-{2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)ethan-1-one
SA65-0852 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-{2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA65-0852
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-{2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl}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

SA65-0852

Molecular Formula

C22H25FN4O3 (C22 H25 FN4 O3)

Compound Name

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-{2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)ethan-1-one

IUPAC name

2-(35-dimethyl-12-oxazol-4-yl)-1-(4-{2-[5-(4-fluorophenyl)-124-oxadiazol-3-yl]ethyl}piperidin-1-yl)ethan-1-one

SMILES

Cc1noc(C)c1CC(N1CCC(CCc2noc(-c(cc3)ccc3F)n2)CC1)=O

InChI

InChI=1S/C22H25FN4O3/c1-14-19(15(2)29-25-14)13-21(28)27-11-9-16(10-12-27)3-8-20-24-22(30-26-20)17-4-6-18(23)7-5-17/h4-7,16H,3,8-13H2,1-2H3

InChI Key

DKEVCUKVOKMDFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31998894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.698

Distribution Coefficient, logD

3.698

Water Solubility, LogSw

-4.15

Polar Surface Area

70.794

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

SA65-0852 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 SA65-0852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA65-0852?
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What is the minimum amount of SA65-0852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA65-0852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA65-0852
  • 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 SA65-0852 available by request