D291-0141 Screening compound: N-[4-(5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide

D291-0141 Screening compound: N-[4-(5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
D291-0141 Screening compound: N-[4-(5-{[(2-chloro-4-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 D291-0141
N-[4-(5-{[(2-chloro-4-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

D291-0141

Molecular Formula

C14H12ClFN6O2S (C14 H12 ClFN6 O2 S)

Compound Name

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

SMILES

CC(Nc1nonc1-c(n1C)nnc1SCc(ccc(F)c1)c1Cl)=O

InChI

InChI=1S/C14H12ClFN6O2S/c1-7(23)17-12-11(20-24-21-12)13-18-19-14(22(13)2)25-6-8-3-4-9(16)5-10(8)15/h3-5H,6H2,1-2H3,(H,17,21,23)

InChI Key

OZMLITNMNQFNGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09221526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.81

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

2.924

Distribution Coefficient, logD

2.920

Water Solubility, LogSw

-3.47

Polar Surface Area

85.341

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

D291-0141 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D291-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D291-0141?
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What is the minimum amount of D291-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D291-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D291-0141
  • 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 D291-0141 available by request