S428-0034 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethan-1-one

S428-0034 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethan-1-one
S428-0034 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S428-0034
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]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

S428-0034

Molecular Formula

C19H26N4O4 (C19 H26 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(C)c1CC(N(CC1)CCC1c1nc(C2CCOCC2)no1)=O

InChI

InChI=1S/C19H26N4O4/c1-12-16(13(2)26-21-12)11-17(24)23-7-3-15(4-8-23)19-20-18(22-27-19)14-5-9-25-10-6-14/h14-15H,3-11H2,1-2H3

InChI Key

KUNGJNGRVXSJLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29006673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.203

Distribution Coefficient, logD

2.203

Water Solubility, LogSw

-1.98

Polar Surface Area

77.904

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.40

S428-0034 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • Epigenetic
Targets:
  • GPCR
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S428-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S428-0034?
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What is the minimum amount of S428-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S428-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S428-0034
  • 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 S428-0034 available by request