S069-0536 Screening compound: 3-[1-(propylsulfonyl)tetrahydro-1H-pyrrol-3-yl]-5-(3-pyridyl)-1,2,4-oxadiazole

S069-0536 Screening compound: 3-[1-(propylsulfonyl)tetrahydro-1H-pyrrol-3-yl]-5-(3-pyridyl)-1,2,4-oxadiazole
S069-0536 Screening compound: 3-[1-(propylsulfonyl)tetrahydro-1H-pyrrol-3-yl]-5-(3-pyridyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S069-0536
3-[1-(propylsulfonyl)tetrahydro-1H-pyrrol-3-yl]-5-(3-pyridyl)-1,2,4-oxadiazole

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

S069-0536

Molecular Formula

C14H18N4O3S (C14 H18 N4 O3 S)

Compound Name

3-[1-(propylsulfonyl)tetrahydro-1H-pyrrol-3-yl]-5-(3-pyridyl)-1,2,4-oxadiazole

IUPAC name

n/a

SMILES

CCCS(N(CC1)CC1c1noc(-c2cnccc2)n1)(=O)=O

InChI

InChI=1S/C14H18N4O3S/c1-2-8-22(19,20)18-7-5-12(10-18)13-16-14(21-17-13)11-4-3-6-15-9-11/h3-4,6,9,12H,2,5,7-8,10H2,1H3/t12-/m1/s1

InChI Key

ZGTFKOOBXLPADV-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD28995219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.39

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

1.359

Distribution Coefficient, logD

1.266

Water Solubility, LogSw

-1.51

Polar Surface Area

73.338

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S069-0536 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S069-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S069-0536?
Check Price and Availability of S069-0536, 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 S069-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S069-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S069-0536
  • 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 S069-0536 available by request