S069-4689 Screening compound: 3-methyl-1-{3-[5-(pyrazin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl}butan-1-one

S069-4689 Screening compound: 3-methyl-1-{3-[5-(pyrazin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl}butan-1-one
S069-4689 Screening compound: 3-methyl-1-{3-[5-(pyrazin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl}butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S069-4689
3-methyl-1-{3-[5-(pyrazin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl}butan-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

S069-4689

Molecular Formula

C15H19N5O2 (C15 H19 N5 O2)

Compound Name

3-methyl-1-{3-[5-(pyrazin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl}butan-1-one

IUPAC name

3-methyl-1-{3-[5-(pyrazin-2-yl)-124-oxadiazol-3-yl]pyrrolidin-1-yl}butan-1-one

SMILES

CC(C)CC(N(CC1)CC1c1noc(-c2nccnc2)n1)=O

InChI

InChI=1S/C15H19N5O2/c1-10(2)7-13(21)20-6-3-11(9-20)14-18-15(22-19-14)12-8-16-4-5-17-12/h4-5,8,10-11H,3,6-7,9H2,1-2H3/t11-/m1/s1

InChI Key

SDHDFKNSABKWLW-LLVKDONJSA-N

MDL Number (MFCD)

MFCD29008291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.577

Distribution Coefficient, logD

1.577

Water Solubility, LogSw

-1.63

Polar Surface Area

66.902

Acid Dissociation Constant (pKa)

24.55

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.30

S069-4689 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 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:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S069-4689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S069-4689?
Check Price and Availability of S069-4689, 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 S069-4689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S069-4689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S069-4689
  • 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 S069-4689 available by request