D731-0426 Screening compound: 2-(2-chlorophenyl)-5-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1,3,4-oxadiazole

D731-0426 Screening compound: 2-(2-chlorophenyl)-5-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1,3,4-oxadiazole
D731-0426 Screening compound: 2-(2-chlorophenyl)-5-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0426
2-(2-chlorophenyl)-5-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1,3,4-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

D731-0426

Molecular Formula

C17H12ClN5O (C17 H12 ClN5 O)

Compound Name

2-(2-chlorophenyl)-5-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1,3,4-oxadiazole

IUPAC name

2-(2-chlorophenyl)-5-(5-methyl-1-phenyl-1H-123-triazol-4-yl)-134-oxadiazole

SMILES

Cc1c(-c2nnc(-c(cccc3)c3Cl)o2)nnn1-c1ccccc1

InChI

InChI=1S/C17H12ClN5O/c1-11-15(19-22-23(11)12-7-3-2-4-8-12)17-21-20-16(24-17)13-9-5-6-10-14(13)18/h2-10H,1H3

InChI Key

MFUAIDXMBZLKTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09874965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.163

Distribution Coefficient, logD

3.163

Water Solubility, LogSw

-3.74

Polar Surface Area

57.326

Acid Dissociation Constant (pKa)

22.19

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

D731-0426 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D731-0426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0426?
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What is the minimum amount of D731-0426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0426
  • 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 D731-0426 available by request