S069-4543 Screening compound: 2-(4-methylphenoxy)-1-{3-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl}ethan-1-one

S069-4543 Screening compound: 2-(4-methylphenoxy)-1-{3-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl}ethan-1-one
S069-4543 Screening compound: 2-(4-methylphenoxy)-1-{3-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S069-4543
2-(4-methylphenoxy)-1-{3-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-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

S069-4543

Molecular Formula

C20H20N4O3 (C20 H20 N4 O3)

Compound Name

2-(4-methylphenoxy)-1-{3-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl}ethan-1-one

IUPAC name

2-(4-methylphenoxy)-1-{3-[5-(pyridin-4-yl)-124-oxadiazol-3-yl]pyrrolidin-1-yl}ethan-1-one

SMILES

Cc(cc1)ccc1OCC(N(CC1)CC1c1noc(-c2ccncc2)n1)=O

InChI

InChI=1S/C20H20N4O3/c1-14-2-4-17(5-3-14)26-13-18(25)24-11-8-16(12-24)19-22-20(27-23-19)15-6-9-21-10-7-15/h2-7,9-10,16H,8,11-13H2,1H3/t16-/m1/s1

InChI Key

KGXCBFHPDXBMLN-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD29007569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.491

Distribution Coefficient, logD

2.490

Water Solubility, LogSw

-2.14

Polar Surface Area

64.992

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

S069-4543 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S069-4543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S069-4543?
Check Price and Availability of S069-4543, 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 S069-4543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S069-4543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S069-4543
  • 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 S069-4543 available by request