D291-0131 Screening compound: N-{4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl}acetamide

D291-0131 Screening compound: N-{4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-yl}acetamide
D291-0131 Screening compound: N-{4-[5-(benzylsulfanyl)-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 D291-0131
N-{4-[5-(benzylsulfanyl)-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

D291-0131

Molecular Formula

C14H14N6O2S (C14 H14 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1nonc1-c(n1C)nnc1SCc1ccccc1)=O

InChI

InChI=1S/C14H14N6O2S/c1-9(21)15-12-11(18-22-19-12)13-16-17-14(20(13)2)23-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,15,19,21)

InChI Key

KNCPFLGWAWJBDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09221520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.37

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

1.747

Distribution Coefficient, logD

1.742

Water Solubility, LogSw

-2.18

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

D291-0131 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D291-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D291-0131?
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What is the minimum amount of D291-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D291-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D291-0131
  • 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 D291-0131 available by request