8006-6763 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(5-nitrofuran-2-yl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

8006-6763 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(5-nitrofuran-2-yl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
8006-6763 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(5-nitrofuran-2-yl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-6763
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(5-nitrofuran-2-yl)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

8006-6763

Molecular Formula

C16H11N9O5 (C16 H11 N9 O5)

Compound Name

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

IUPAC name

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

SMILES

Nc1nonc1-n1nnc(C(N/N=C/c2ccc([N+]([O-])=O)o2)=O)c1-c1ccccc1

InChI

InChI=1S/C16H11N9O5/c17-14-15(22-30-21-14)24-13(9-4-2-1-3-5-9)12(19-23-24)16(26)20-18-8-10-6-7-11(29-10)25(27)28/h1-8H,(H2,17,21)(H,20,26)

InChI Key

RLBWJSUVCFFYAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00826126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.32

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

1.964

Distribution Coefficient, logD

1.964

Water Solubility, LogSw

-2.42

Polar Surface Area

159.233

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8006-6763 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

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 8006-6763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-6763?
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What is the minimum amount of 8006-6763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-6763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-6763
  • 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 8006-6763 available by request