D065-0005 Screening compound: 5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(thiophen-2-yl)-1,2,4-oxadiazole

D065-0005 Screening compound: 5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(thiophen-2-yl)-1,2,4-oxadiazole
D065-0005 Screening compound: 5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(thiophen-2-yl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D065-0005
5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(thiophen-2-yl)-1,2,4-oxadiazole

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

D065-0005

Molecular Formula

C16H13N5OS2 (C16 H13 N5 OS2)

Compound Name

5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(thiophen-2-yl)-1,2,4-oxadiazole

IUPAC name

5-{[(4-methyl-5-phenyl-4H-124-triazol-3-yl)sulfanyl]methyl}-3-(thiophen-2-yl)-124-oxadiazole

SMILES

Cn1c(SCc2nc(-c3cccs3)no2)nnc1-c1ccccc1

InChI

InChI=1S/C16H13N5OS2/c1-21-15(11-6-3-2-4-7-11)18-19-16(21)24-10-13-17-14(20-22-13)12-8-5-9-23-12/h2-9H,10H2,1H3

InChI Key

HEXXYWOBUKOMOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06005706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.920

Distribution Coefficient, logD

3.920

Water Solubility, LogSw

-3.99

Polar Surface Area

57.412

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D065-0005 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D065-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D065-0005?
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What is the minimum amount of D065-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D065-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D065-0005
  • 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 D065-0005 available by request