D731-0427 Screening compound: 2-[5-methyl-1-(3-methylphenyl)-1H-1,2,3-triazol-4-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole

D731-0427 Screening compound: 2-[5-methyl-1-(3-methylphenyl)-1H-1,2,3-triazol-4-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
D731-0427 Screening compound: 2-[5-methyl-1-(3-methylphenyl)-1H-1,2,3-triazol-4-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0427
2-[5-methyl-1-(3-methylphenyl)-1H-1,2,3-triazol-4-yl]-5-(4-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

D731-0427

Molecular Formula

C19H17N5O (C19 H17 N5 O)

Compound Name

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

IUPAC name

2-[5-methyl-1-(3-methylphenyl)-1H-123-triazol-4-yl]-5-(4-methylphenyl)-134-oxadiazole

SMILES

Cc1c(-c2nnc(-c3ccc(C)cc3)o2)nnn1-c1cc(C)ccc1

InChI

InChI=1S/C19H17N5O/c1-12-7-9-15(10-8-12)18-21-22-19(25-18)17-14(3)24(23-20-17)16-6-4-5-13(2)11-16/h4-11H,1-3H3

InChI Key

UPFYAFZVESFTET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09875015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.38

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

3.884

Distribution Coefficient, logD

3.884

Water Solubility, LogSw

-3.91

Polar Surface Area

57.326

Acid Dissociation Constant (pKa)

22.19

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with D731-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0427?
Check Price and Availability of D731-0427, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D731-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0427
  • 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 D731-0427 available by request