S069-4657 Screening compound: 2-(2-fluorophenyl)-1-{3-[5-(2-pyrazinyl)-1,2,4-oxadiazol-3-yl]-1-pyrrolidinyl}-1-ethanone

S069-4657 Screening compound: 2-(2-fluorophenyl)-1-{3-[5-(2-pyrazinyl)-1,2,4-oxadiazol-3-yl]-1-pyrrolidinyl}-1-ethanone
S069-4657 Screening compound: 2-(2-fluorophenyl)-1-{3-[5-(2-pyrazinyl)-1,2,4-oxadiazol-3-yl]-1-pyrrolidinyl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S069-4657
2-(2-fluorophenyl)-1-{3-[5-(2-pyrazinyl)-1,2,4-oxadiazol-3-yl]-1-pyrrolidinyl}-1-ethanone

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

S069-4657

Molecular Formula

C18H16FN5O2 (C18 H16 FN5 O2)

Compound Name

2-(2-fluorophenyl)-1-{3-[5-(2-pyrazinyl)-1,2,4-oxadiazol-3-yl]-1-pyrrolidinyl}-1-ethanone

IUPAC name

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

SMILES

O=C(Cc(cccc1)c1F)N(CC1)CC1c1noc(-c2nccnc2)n1

InChI

InChI=1S/C18H16FN5O2/c19-14-4-2-1-3-12(14)9-16(25)24-8-5-13(11-24)17-22-18(26-23-17)15-10-20-6-7-21-15/h1-4,6-7,10,13H,5,8-9,11H2/t13-/m1/s1

InChI Key

REOFTWWFXLYWHJ-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.36

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

2.129

Distribution Coefficient, logD

2.129

Water Solubility, LogSw

-1.80

Polar Surface Area

66.630

Acid Dissociation Constant (pKa)

17.94

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.78

S069-4657 in Drug Discovery

Included in Screening Libraries

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

NOTUM (Wnt signaling) Library (3881 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

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

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with S069-4657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S069-4657?
Check Price and Availability of S069-4657, 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 S069-4657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S069-4657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S069-4657
  • 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 S069-4657 available by request