SA66-1088 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)ethan-1-one

SA66-1088 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)ethan-1-one
SA66-1088 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA66-1088
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-{2-[5-(oxan-4-yl)-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

SA66-1088

Molecular Formula

C21H30N4O4 (C21 H30 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(C)c1CC(N1CC(CCc2noc(C3CCOCC3)n2)CCC1)=O

InChI

InChI=1S/C21H30N4O4/c1-14-18(15(2)28-23-14)12-20(26)25-9-3-4-16(13-25)5-6-19-22-21(29-24-19)17-7-10-27-11-8-17/h16-17H,3-13H2,1-2H3/t16-/m1/s1

InChI Key

COPZASFJBYAGNP-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32001285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.817

Distribution Coefficient, logD

2.817

Water Solubility, LogSw

-2.69

Polar Surface Area

78.828

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.43

SA66-1088 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Autophagy-Targeted Library (4564 compounds)

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

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA66-1088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA66-1088?
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What is the minimum amount of SA66-1088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA66-1088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA66-1088
  • 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 SA66-1088 available by request