S937-0979 Screening compound: 4-[1-(4-methoxybenzenesulfonyl)azetidin-3-yl]-3-phenyl-4H-1,2,4-triazole

S937-0979 Screening compound: 4-[1-(4-methoxybenzenesulfonyl)azetidin-3-yl]-3-phenyl-4H-1,2,4-triazole
S937-0979 Screening compound: 4-[1-(4-methoxybenzenesulfonyl)azetidin-3-yl]-3-phenyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S937-0979
4-[1-(4-methoxybenzenesulfonyl)azetidin-3-yl]-3-phenyl-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

S937-0979

Molecular Formula

C18H18N4O3S (C18 H18 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1S(N(C1)CC1n1c(-c2ccccc2)nnc1)(=O)=O

InChI

InChI=1S/C18H18N4O3S/c1-25-16-7-9-17(10-8-16)26(23,24)21-11-15(12-21)22-13-19-20-18(22)14-5-3-2-4-6-14/h2-10,13,15H,11-12H2,1H3

InChI Key

IFMRUEBIBNTYJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32228618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.253

Distribution Coefficient, logD

2.253

Water Solubility, LogSw

-2.44

Polar Surface Area

63.876

Acid Dissociation Constant (pKa)

17.18

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

S937-0979 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S937-0979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S937-0979?
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What is the minimum amount of S937-0979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S937-0979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S937-0979
  • 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 S937-0979 available by request