D065-0125 Screening compound: 5-({[4-methyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole

D065-0125 Screening compound: 5-({[4-methyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole
D065-0125 Screening compound: 5-({[4-methyl-5-(2-phenylethyl)-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 D065-0125
5-({[4-methyl-5-(2-phenylethyl)-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

D065-0125

Molecular Formula

C18H17N5OS2 (C18 H17 N5 OS2)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(SCc2nc(-c3cccs3)no2)nnc1CCc1ccccc1

InChI

InChI=1S/C18H17N5OS2/c1-23-15(10-9-13-6-3-2-4-7-13)20-21-18(23)26-12-16-19-17(22-24-16)14-8-5-11-25-14/h2-8,11H,9-10,12H2,1H3

InChI Key

GTSVBAGNEGTMON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06006639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.172

Distribution Coefficient, logD

4.172

Water Solubility, LogSw

-4.32

Polar Surface Area

58.388

Acid Dissociation Constant (pKa)

23.22

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D065-0125 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D065-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D065-0125?
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What is the minimum amount of D065-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D065-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D065-0125
  • 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 D065-0125 available by request