8008-4782 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,4-dinitrophenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

8008-4782 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,4-dinitrophenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
8008-4782 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,4-dinitrophenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4782
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,4-dinitrophenyl)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

8008-4782

Molecular Formula

C18H12N10O6 (C18 H12 N10 O6)

Compound Name

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

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-N'-[(E)-(24-dinitrophenyl)methylidene]-5-phenyl-1H-123-triazole-4-carbohydrazide

SMILES

Nc1nonc1-n1nnc(C(N/N=C/c(ccc([N+]([O-])=O)c2)c2[N+]([O-])=O)=O)c1-c1ccccc1

InChI

InChI=1S/C18H12N10O6/c19-16-17(24-34-23-16)26-15(10-4-2-1-3-5-10)14(21-25-26)18(29)22-20-9-11-6-7-12(27(30)31)8-13(11)28(32)33/h1-9H,(H2,19,23)(H,22,29)

InChI Key

TUOVHEHPOJDPKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00759566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.36

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

16

Partition Coefficient, logP

2.820

Distribution Coefficient, logD

2.816

Water Solubility, LogSw

-3.59

Polar Surface Area

183.865

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8008-4782 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8008-4782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4782?
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What is the minimum amount of 8008-4782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4782
  • 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 8008-4782 available by request