D291-0140 Screening compound: N-[4-(5-{[(2-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide

D291-0140 Screening compound: N-[4-(5-{[(2-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
D291-0140 Screening compound: N-[4-(5-{[(2-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D291-0140
N-[4-(5-{[(2-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]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

D291-0140

Molecular Formula

C14H13FN6O2S (C14 H13 FN6 O2 S)

Compound Name

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

IUPAC name

N-[4-(5-{[(2-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-124-triazol-3-yl)-125-oxadiazol-3-yl]acetamide

SMILES

CC(Nc1nonc1-c(n1C)nnc1SCc(cccc1)c1F)=O

InChI

InChI=1S/C14H13FN6O2S/c1-8(22)16-12-11(19-23-20-12)13-17-18-14(21(13)2)24-7-9-5-3-4-6-10(9)15/h3-6H,7H2,1-2H3,(H,16,20,22)

InChI Key

POKPWXONKIXQEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09221525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.311

Distribution Coefficient, logD

2.306

Water Solubility, LogSw

-2.71

Polar Surface Area

85.341

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

D291-0140 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 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
Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D291-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D291-0140?
Check Price and Availability of D291-0140, 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 D291-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D291-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D291-0140
  • 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 D291-0140 available by request