8006-4992 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-fluorophenyl)ethylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide

8006-4992 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-fluorophenyl)ethylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide
8006-4992 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-fluorophenyl)ethylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4992
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-fluorophenyl)ethylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide

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

8006-4992

Molecular Formula

C14H13FN8O2 (C14 H13 FN8 O2)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-fluorophenyl)ethylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-N'-[(1E)-1-(4-fluorophenyl)ethylidene]-5-methyl-1H-123-triazole-4-carbohydrazide

SMILES

C/C(/c(cc1)ccc1F)=N\NC(c1c(C)n(-c2nonc2N)nn1)=O

InChI

InChI=1S/C14H13FN8O2/c1-7(9-3-5-10(15)6-4-9)17-19-14(24)11-8(2)23(22-18-11)13-12(16)20-25-21-13/h3-6H,1-2H3,(H2,16,20)(H,19,24)

InChI Key

PQCQCIOHENWACB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00759616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.501

Distribution Coefficient, logD

1.484

Water Solubility, LogSw

-1.98

Polar Surface Area

117.933

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8006-4992 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8006-4992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4992?
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What is the minimum amount of 8006-4992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4992
  • 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 8006-4992 available by request