S069-4287 Screening compound: 3-[3-(1-phenylmethanesulfonylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]pyridine

S069-4287 Screening compound: 3-[3-(1-phenylmethanesulfonylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]pyridine
S069-4287 Screening compound: 3-[3-(1-phenylmethanesulfonylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S069-4287
3-[3-(1-phenylmethanesulfonylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]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

S069-4287

Molecular Formula

C18H18N4O3S (C18 H18 N4 O3 S)

Compound Name

3-[3-(1-phenylmethanesulfonylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]pyridine

IUPAC name

3-[3-(1-phenylmethanesulfonylpyrrolidin-3-yl)-124-oxadiazol-5-yl]pyridine

SMILES

O=S(Cc1ccccc1)(N(CC1)CC1c1noc(-c2cnccc2)n1)=O

InChI

InChI=1S/C18H18N4O3S/c23-26(24,13-14-5-2-1-3-6-14)22-10-8-16(12-22)17-20-18(25-21-17)15-7-4-9-19-11-15/h1-7,9,11,16H,8,10,12-13H2/t16-/m1/s1

InChI Key

LTRAAGDDKISTHD-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD29007602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.978

Distribution Coefficient, logD

1.884

Water Solubility, LogSw

-1.81

Polar Surface Area

73.067

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

S069-4287 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Immunological Library (6760 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S069-4287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S069-4287?
Check Price and Availability of S069-4287, 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 S069-4287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S069-4287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S069-4287
  • 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 S069-4287 available by request