F040-0139 Screening compound: N-(4-fluorophenyl)-N-methyl-2-({3-[4-(propan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl}sulfanyl)acetamide

F040-0139 Screening compound: N-(4-fluorophenyl)-N-methyl-2-({3-[4-(propan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl}sulfanyl)acetamide
F040-0139 Screening compound: N-(4-fluorophenyl)-N-methyl-2-({3-[4-(propan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F040-0139
N-(4-fluorophenyl)-N-methyl-2-({3-[4-(propan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl}sulfanyl)acetamide

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

F040-0139

Molecular Formula

C20H20FN3O2S (C20 H20 FN3 O2 S)

Compound Name

N-(4-fluorophenyl)-N-methyl-2-({3-[4-(propan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl}sulfanyl)acetamide

IUPAC name

N-(4-fluorophenyl)-N-methyl-2-({3-[4-(propan-2-yl)phenyl]-124-oxadiazol-5-yl}sulfanyl)acetamide

SMILES

CC(C)c(cc1)ccc1-c1noc(SCC(N(C)c(cc2)ccc2F)=O)n1

InChI

InChI=1S/C20H20FN3O2S/c1-13(2)14-4-6-15(7-5-14)19-22-20(26-23-19)27-12-18(25)24(3)17-10-8-16(21)9-11-17/h4-11,13H,12H2,1-3H3

InChI Key

CUBZFEJWCZIFHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14938096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.878

Distribution Coefficient, logD

4.878

Water Solubility, LogSw

-4.58

Polar Surface Area

46.339

Acid Dissociation Constant (pKa)

18.35

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F040-0139 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F040-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F040-0139?
Check Price and Availability of F040-0139, 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 F040-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F040-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F040-0139
  • 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 F040-0139 available by request