0278-0049 Screening compound: 1-{[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole

0278-0049 Screening compound: 1-{[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole
0278-0049 Screening compound: 1-{[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0278-0049
1-{[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole

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

0278-0049

Molecular Formula

C15H17Cl2N3O2 (C15 H17 Cl2 N3 O2)

Compound Name

1-{[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole

IUPAC name

1-{[2-(24-dichlorophenyl)-4-propyl-13-dioxolan-2-yl]methyl}-1H-124-triazole

SMILES

CCCC1OC(Cn2ncnc2)(c(ccc(Cl)c2)c2Cl)OC1

InChI

InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3

InChI Key

STJLVHWMYQXCPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00055299

Chemical and Physical Properties

Saltdata

HNO3

Molecular Weight

342.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.728

Distribution Coefficient, logD

3.728

Water Solubility, LogSw

-4.25

Polar Surface Area

40.837

Acid Dissociation Constant (pKa)

24.45

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.70

0278-0049 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

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

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0278-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0278-0049?
Check Price and Availability of 0278-0049, 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 0278-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0278-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0278-0049
  • 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 0278-0049 available by request