S940-0204 Screening compound: 3-(5-{[1-(4-methoxybenzenesulfonyl)azetidin-3-yl]methyl}-1,2,4-oxadiazol-3-yl)pyridine

S940-0204 Screening compound: 3-(5-{[1-(4-methoxybenzenesulfonyl)azetidin-3-yl]methyl}-1,2,4-oxadiazol-3-yl)pyridine
S940-0204 Screening compound: 3-(5-{[1-(4-methoxybenzenesulfonyl)azetidin-3-yl]methyl}-1,2,4-oxadiazol-3-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S940-0204
3-(5-{[1-(4-methoxybenzenesulfonyl)azetidin-3-yl]methyl}-1,2,4-oxadiazol-3-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

S940-0204

Molecular Formula

C18H18N4O4S (C18 H18 N4 O4 S)

Compound Name

3-(5-{[1-(4-methoxybenzenesulfonyl)azetidin-3-yl]methyl}-1,2,4-oxadiazol-3-yl)pyridine

IUPAC name

3-(5-{[1-(4-methoxybenzenesulfonyl)azetidin-3-yl]methyl}-124-oxadiazol-3-yl)pyridine

SMILES

COc(cc1)ccc1S(N1CC(Cc2nc(-c3cnccc3)no2)C1)(=O)=O

InChI

InChI=1S/C18H18N4O4S/c1-25-15-4-6-16(7-5-15)27(23,24)22-11-13(12-22)9-17-20-18(21-26-17)14-3-2-8-19-10-14/h2-8,10,13H,9,11-12H2,1H3

InChI Key

ZDFFZDSRLYIFKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31962425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.544

Distribution Coefficient, logD

1.905

Water Solubility, LogSw

-2.32

Polar Surface Area

80.280

Acid Dissociation Constant (pKa)

25.29

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

S940-0204 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S940-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S940-0204?
Check Price and Availability of S940-0204, 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 S940-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S940-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S940-0204
  • 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 S940-0204 available by request