S428-0589 Screening compound: 2-methyl-5-{2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}pyridine

S428-0589 Screening compound: 2-methyl-5-{2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}pyridine
S428-0589 Screening compound: 2-methyl-5-{2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S428-0589
2-methyl-5-{2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}pyridine

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

S428-0589

Molecular Formula

C18H22N4O3 (C18 H22 N4 O3)

Compound Name

2-methyl-5-{2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}pyridine

IUPAC name

2-methyl-5-{2-[3-(oxan-4-yl)-124-oxadiazol-5-yl]pyrrolidine-1-carbonyl}pyridine

SMILES

Cc(cc1)ncc1C(N(CCC1)C1c1nc(C2CCOCC2)no1)=O

InChI

InChI=1S/C18H22N4O3/c1-12-4-5-14(11-19-12)18(23)22-8-2-3-15(22)17-20-16(21-25-17)13-6-9-24-10-7-13/h4-5,11,13,15H,2-3,6-10H2,1H3/t15-/m0/s1

InChI Key

KPDRTPZKZMPXCB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29006707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.038

Distribution Coefficient, logD

2.038

Water Solubility, LogSw

-2.14

Polar Surface Area

65.397

Acid Dissociation Constant (pKa)

25.17

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

S428-0589 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Eye
  • Nervous system
  • Cardiovascular
  • Cancer
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Targets:
  • Ion Channels
  • Ion Channels
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S428-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S428-0589?
Check Price and Availability of S428-0589, 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 S428-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S428-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S428-0589
  • 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 S428-0589 available by request