S069-4449 Screening compound: 4-(3-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-3-yl}-1,2,4-oxadiazol-5-yl)pyridine

S069-4449 Screening compound: 4-(3-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-3-yl}-1,2,4-oxadiazol-5-yl)pyridine
S069-4449 Screening compound: 4-(3-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-3-yl}-1,2,4-oxadiazol-5-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S069-4449
4-(3-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-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

S069-4449

Molecular Formula

C15H16N6O3S (C15 H16 N6 O3 S)

Compound Name

4-(3-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-3-yl}-1,2,4-oxadiazol-5-yl)pyridine

IUPAC name

4-(3-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-3-yl}-124-oxadiazol-5-yl)pyridine

SMILES

Cn1cnc(S(N(CC2)CC2c2noc(-c3ccncc3)n2)(=O)=O)c1

InChI

InChI=1S/C15H16N6O3S/c1-20-9-13(17-10-20)25(22,23)21-7-4-12(8-21)14-18-15(24-19-14)11-2-5-16-6-3-11/h2-3,5-6,9-10,12H,4,7-8H2,1H3/t12-/m1/s1

InChI Key

RHODVIBSIVCHIW-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD29007560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.613

Distribution Coefficient, logD

0.612

Water Solubility, LogSw

-1.61

Polar Surface Area

85.494

Acid Dissociation Constant (pKa)

26.47

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

S069-4449 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Bromodomain Modulators Library (5801 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 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:
  • Antiviral
  • Infections
  • Immune 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 S069-4449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S069-4449?
Check Price and Availability of S069-4449, 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 S069-4449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S069-4449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S069-4449
  • 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 S069-4449 available by request