S050-0058 Screening compound: 4-({3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole

S050-0058 Screening compound: 4-({3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole
S050-0058 Screening compound: 4-({3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S050-0058
4-({3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole

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

S050-0058

Molecular Formula

C18H15N5O4S2 (C18 H15 N5 O4 S2)

Compound Name

4-({3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole

IUPAC name

4-({3-[4-(3-methyl-124-oxadiazol-5-yl)phenoxy]azetidin-1-yl}sulfonyl)-213-benzothiadiazole

SMILES

Cc1noc(-c(cc2)ccc2OC(C2)CN2S(c2cccc3nsnc23)(=O)=O)n1

InChI

InChI=1S/C18H15N5O4S2/c1-11-19-18(27-20-11)12-5-7-13(8-6-12)26-14-9-23(10-14)29(24,25)16-4-2-3-15-17(16)22-28-21-15/h2-8,14H,9-10H2,1H3

InChI Key

KGJURHUTRGJKJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.660

Distribution Coefficient, logD

2.660

Water Solubility, LogSw

-2.89

Polar Surface Area

90.652

Acid Dissociation Constant (pKa)

28.56

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

S050-0058 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

Eccentric PPI Library (11937 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S050-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S050-0058?
Check Price and Availability of S050-0058, 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 S050-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S050-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S050-0058
  • 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 S050-0058 available by request