M321-0012 Screening compound: 4-fluoro-N-({3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)benzene-1-sulfonamide

M321-0012 Screening compound: 4-fluoro-N-({3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)benzene-1-sulfonamide
M321-0012 Screening compound: 4-fluoro-N-({3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M321-0012
4-fluoro-N-({3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)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

M321-0012

Molecular Formula

C18H14FN5O3S (C18 H14 FN5 O3 S)

Compound Name

4-fluoro-N-({3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)benzene-1-sulfonamide

IUPAC name

4-fluoro-N-({3-[3-(1H-pyrazol-5-yl)phenyl]-124-oxadiazol-5-yl}methyl)benzene-1-sulfonamide

SMILES

O=S(c(cc1)ccc1F)(NCc1nc(-c2cc(-c3ccn[nH]3)ccc2)no1)=O

InChI

InChI=1S/C18H14FN5O3S/c19-14-4-6-15(7-5-14)28(25,26)21-11-17-22-18(24-27-17)13-3-1-2-12(10-13)16-8-9-20-23-16/h1-10,21H,11H2,(H,20,23)

InChI Key

OGEIGDXGSSJKKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27535878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.522

Distribution Coefficient, logD

3.450

Water Solubility, LogSw

-3.87

Polar Surface Area

96.670

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

M321-0012 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with M321-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M321-0012?
Check Price and Availability of M321-0012, 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 M321-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M321-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M321-0012
  • 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 M321-0012 available by request