D101-0406 Screening compound: 4-fluoro-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzene-1-sulfonamide

D101-0406 Screening compound: 4-fluoro-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzene-1-sulfonamide
D101-0406 Screening compound: 4-fluoro-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0406
4-fluoro-N-{[3-(3-methylphenyl)-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

D101-0406

Molecular Formula

C16H14FN3O3S (C16 H14 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-c2noc(CNS(c(cc3)ccc3F)(=O)=O)n2)c1

InChI

InChI=1S/C16H14FN3O3S/c1-11-3-2-4-12(9-11)16-19-15(23-20-16)10-18-24(21,22)14-7-5-13(17)6-8-14/h2-9,18H,10H2,1H3

InChI Key

KTIDJKGADDTETI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06634956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.829

Distribution Coefficient, logD

3.757

Water Solubility, LogSw

-3.95

Polar Surface Area

73.340

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D101-0406 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D101-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0406?
Check Price and Availability of D101-0406, 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 D101-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0406
  • 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 D101-0406 available by request