M349-0058 Screening compound: 3-cyano-N-{4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl}benzene-1-sulfonamide

M349-0058 Screening compound: 3-cyano-N-{4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl}benzene-1-sulfonamide
M349-0058 Screening compound: 3-cyano-N-{4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M349-0058
3-cyano-N-{4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl}benzene-1-sulfonamide

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

M349-0058

Molecular Formula

C22H16N4O4S (C22 H16 N4 O4 S)

Compound Name

3-cyano-N-{4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl}benzene-1-sulfonamide

IUPAC name

3-cyano-N-{4-[(5-phenyl-134-oxadiazol-2-yl)methoxy]phenyl}benzene-1-sulfonamide

SMILES

N#Cc1cccc(S(Nc(cc2)ccc2OCc2nnc(-c3ccccc3)o2)(=O)=O)c1

InChI

InChI=1S/C22H16N4O4S/c23-14-16-5-4-8-20(13-16)31(27,28)26-18-9-11-19(12-10-18)29-15-21-24-25-22(30-21)17-6-2-1-3-7-17/h1-13,26H,15H2

InChI Key

QJDFIYBDGRKPDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27538122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.369

Distribution Coefficient, logD

3.334

Water Solubility, LogSw

-3.76

Polar Surface Area

95.353

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

-5.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

M349-0058 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M349-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M349-0058?
Check Price and Availability of M349-0058, 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 M349-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M349-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M349-0058
  • 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 M349-0058 available by request