D065-0072 Screening compound: 3-(4-chlorophenyl)-5-({[4-(4-ethylphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole

D065-0072 Screening compound: 3-(4-chlorophenyl)-5-({[4-(4-ethylphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
D065-0072 Screening compound: 3-(4-chlorophenyl)-5-({[4-(4-ethylphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D065-0072
3-(4-chlorophenyl)-5-({[4-(4-ethylphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-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

D065-0072

Molecular Formula

C20H18ClN5OS (C20 H18 ClN5 OS)

Compound Name

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

IUPAC name

3-(4-chlorophenyl)-5-({[4-(4-ethylphenyl)-5-methyl-4H-124-triazol-3-yl]sulfanyl}methyl)-124-oxadiazole

SMILES

CCc(cc1)ccc1-n1c(SCc2nc(-c(cc3)ccc3Cl)no2)nnc1C

InChI

InChI=1S/C20H18ClN5OS/c1-3-14-4-10-17(11-5-14)26-13(2)23-24-20(26)28-12-18-22-19(25-27-18)15-6-8-16(21)9-7-15/h4-11H,3,12H2,1-2H3

InChI Key

QDPLGJUQKSFLRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07048969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.313

Distribution Coefficient, logD

5.313

Water Solubility, LogSw

-6.07

Polar Surface Area

57.104

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D065-0072 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 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 D065-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D065-0072?
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What is the minimum amount of D065-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D065-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D065-0072
  • 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 D065-0072 available by request