D731-0145 Screening compound: 2-[1-(2,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-5-(2-methylphenyl)-1,3,4-oxadiazole

D731-0145 Screening compound: 2-[1-(2,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-5-(2-methylphenyl)-1,3,4-oxadiazole
D731-0145 Screening compound: 2-[1-(2,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-5-(2-methylphenyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0145
2-[1-(2,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-5-(2-methylphenyl)-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

D731-0145

Molecular Formula

C20H19N5O (C20 H19 N5 O)

Compound Name

2-[1-(2,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-5-(2-methylphenyl)-1,3,4-oxadiazole

IUPAC name

2-[1-(24-dimethylphenyl)-5-methyl-1H-123-triazol-4-yl]-5-(2-methylphenyl)-134-oxadiazole

SMILES

Cc1c(-c2nnc(-c3c(C)cccc3)o2)nnn1-c1c(C)cc(C)cc1

InChI

InChI=1S/C20H19N5O/c1-12-9-10-17(14(3)11-12)25-15(4)18(21-24-25)20-23-22-19(26-20)16-8-6-5-7-13(16)2/h5-11H,1-4H3

InChI Key

AUOIMMRDANCPJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09875262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

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

4.204

Distribution Coefficient, logD

4.204

Water Solubility, LogSw

-4.40

Polar Surface Area

57.025

Acid Dissociation Constant (pKa)

22.19

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with D731-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0145?
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What is the minimum amount of D731-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0145
  • 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 D731-0145 available by request