D065-0006 Screening compound: 5-({[4-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole

D065-0006 Screening compound: 5-({[4-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole
D065-0006 Screening compound: 5-({[4-(4-fluorophenyl)-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 D065-0006
5-({[4-(4-fluorophenyl)-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

D065-0006

Molecular Formula

C21H14FN5OS2 (C21 H14 FN5 OS2)

Compound Name

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

IUPAC name

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

SMILES

Fc(cc1)ccc1-n1c(SCc2nc(-c3cccs3)no2)nnc1-c1ccccc1

InChI

InChI=1S/C21H14FN5OS2/c22-15-8-10-16(11-9-15)27-20(14-5-2-1-3-6-14)24-25-21(27)30-13-18-23-19(26-28-18)17-7-4-12-29-17/h1-12H,13H2

InChI Key

MNDBNQBOJBNVAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07048938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.51

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

5.522

Distribution Coefficient, logD

5.522

Water Solubility, LogSw

-5.91

Polar Surface Area

57.074

Acid Dissociation Constant (pKa)

26.49

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

D065-0006 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D065-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D065-0006?
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What is the minimum amount of D065-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D065-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D065-0006
  • 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 D065-0006 available by request