8016-3428 Screening compound: 5-(2-fluorophenoxy)-1-methyl-3-nitro-1H-1,2,4-triazole

8016-3428 Screening compound: 5-(2-fluorophenoxy)-1-methyl-3-nitro-1H-1,2,4-triazole
8016-3428 Screening compound: 5-(2-fluorophenoxy)-1-methyl-3-nitro-1H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-3428
5-(2-fluorophenoxy)-1-methyl-3-nitro-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

8016-3428

Molecular Formula

C9H7FN4O3 (C9 H7 FN4 O3)

Compound Name

5-(2-fluorophenoxy)-1-methyl-3-nitro-1H-1,2,4-triazole

IUPAC name

5-(2-fluorophenoxy)-1-methyl-3-nitro-1H-124-triazole

SMILES

Cn(c(Oc(cccc1)c1F)n1)nc1[N+]([O-])=O

InChI

InChI=1S/C9H7FN4O3/c1-13-9(11-8(12-13)14(15)16)17-7-5-3-2-4-6(7)10/h2-5H,1H3

InChI Key

HZUOUSAGAHJDRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05855587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.18

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.682

Distribution Coefficient, logD

1.682

Water Solubility, LogSw

-1.87

Polar Surface Area

64.025

Acid Dissociation Constant (pKa)

29.08

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8016-3428 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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 8016-3428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-3428?
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What is the minimum amount of 8016-3428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-3428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-3428
  • 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 8016-3428 available by request