S937-0400 Screening compound: 4-[1-(4-methoxybenzenesulfonyl)azetidin-3-yl]-3-(oxan-4-yl)-4H-1,2,4-triazole

S937-0400 Screening compound: 4-[1-(4-methoxybenzenesulfonyl)azetidin-3-yl]-3-(oxan-4-yl)-4H-1,2,4-triazole
S937-0400 Screening compound: 4-[1-(4-methoxybenzenesulfonyl)azetidin-3-yl]-3-(oxan-4-yl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S937-0400
4-[1-(4-methoxybenzenesulfonyl)azetidin-3-yl]-3-(oxan-4-yl)-4H-1,2,4-triazole

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

S937-0400

Molecular Formula

C17H22N4O4S (C17 H22 N4 O4 S)

Compound Name

4-[1-(4-methoxybenzenesulfonyl)azetidin-3-yl]-3-(oxan-4-yl)-4H-1,2,4-triazole

IUPAC name

4-[1-(4-methoxybenzenesulfonyl)azetidin-3-yl]-3-(oxan-4-yl)-4H-124-triazole

SMILES

COc(cc1)ccc1S(N(C1)CC1n1c(C2CCOCC2)nnc1)(=O)=O

InChI

InChI=1S/C17H22N4O4S/c1-24-15-2-4-16(5-3-15)26(22,23)20-10-14(11-20)21-12-18-19-17(21)13-6-8-25-9-7-13/h2-5,12-14H,6-11H2,1H3

InChI Key

MPSNHDWBFSFTQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31994189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.224

Distribution Coefficient, logD

1.224

Water Solubility, LogSw

-2.32

Polar Surface Area

71.976

Acid Dissociation Constant (pKa)

19.34

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

S937-0400 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 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)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S937-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S937-0400?
Check Price and Availability of S937-0400, 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 S937-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S937-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S937-0400
  • 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 S937-0400 available by request