8006-1461 Screening compound: 1-{[2-(4-bromophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole

8006-1461 Screening compound: 1-{[2-(4-bromophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole
8006-1461 Screening compound: 1-{[2-(4-bromophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-1461
1-{[2-(4-bromophenyl)-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

8006-1461

Molecular Formula

C15H18BrN3O2 (C15 H18 BrN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCC1OC(Cn2ncnc2)(c(cc2)ccc2Br)OC1

InChI

InChI=1S/C15H18BrN3O2/c1-2-3-14-8-20-15(21-14,9-19-11-17-10-18-19)12-4-6-13(16)7-5-12/h4-7,10-11,14H,2-3,8-9H2,1H3

InChI Key

HWFIWTDYNAQJAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.23

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

3.135

Distribution Coefficient, logD

3.135

Water Solubility, LogSw

-2.96

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

8006-1461 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8006-1461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-1461?
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What is the minimum amount of 8006-1461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-1461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-1461
  • 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 8006-1461 available by request