S428-0453 Screening compound: 3-(3-methoxyphenyl)-1-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}propan-1-one

S428-0453 Screening compound: 3-(3-methoxyphenyl)-1-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}propan-1-one
S428-0453 Screening compound: 3-(3-methoxyphenyl)-1-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S428-0453
3-(3-methoxyphenyl)-1-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}propan-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

S428-0453

Molecular Formula

C21H27N3O4 (C21 H27 N3 O4)

Compound Name

3-(3-methoxyphenyl)-1-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}propan-1-one

IUPAC name

3-(3-methoxyphenyl)-1-{3-[3-(oxan-4-yl)-124-oxadiazol-5-yl]pyrrolidin-1-yl}propan-1-one

SMILES

COc1cccc(CCC(N(CC2)CC2c2nc(C3CCOCC3)no2)=O)c1

InChI

InChI=1S/C21H27N3O4/c1-26-18-4-2-3-15(13-18)5-6-19(25)24-10-7-17(14-24)21-22-20(23-28-21)16-8-11-27-12-9-16/h2-4,13,16-17H,5-12,14H2,1H3/t17-/m1/s1

InChI Key

LCGGAKQQOHDLEZ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD29008180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.46

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

3.283

Distribution Coefficient, logD

3.283

Water Solubility, LogSw

-3.30

Polar Surface Area

63.709

Acid Dissociation Constant (pKa)

22.97

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

S428-0453 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Ligand-Gated Ion Channels Library (3887 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
  • Nervous system
  • Eye
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Targets:
  • Ion Channels
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S428-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S428-0453?
Check Price and Availability of S428-0453, 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 S428-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S428-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S428-0453
  • 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 S428-0453 available by request