8006-4936 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

8006-4936 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
8006-4936 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4936
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-phenyl-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

8006-4936

Molecular Formula

C18H12ClFN8O2 (C18 H12 ClFN8 O2)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-phenyl-1H-123-triazole-4-carbohydrazide

SMILES

Nc1nonc1-n1nnc(C(N/N=C/c(c(F)ccc2)c2Cl)=O)c1-c1ccccc1

InChI

InChI=1S/C18H12ClFN8O2/c19-12-7-4-8-13(20)11(12)9-22-24-18(29)14-15(10-5-2-1-3-6-10)28(27-23-14)17-16(21)25-30-26-17/h1-9H,(H2,21,25)(H,24,29)

InChI Key

PEEWSIGVELILQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00759649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.8

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.329

Distribution Coefficient, logD

3.311

Water Solubility, LogSw

-3.71

Polar Surface Area

117.403

Acid Dissociation Constant (pKa)

8.77

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8006-4936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4936?
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What is the minimum amount of 8006-4936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4936
  • 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 8006-4936 available by request