1453-5063 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)-N'-[(E)-(4-nitrophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide

1453-5063 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)-N'-[(E)-(4-nitrophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
1453-5063 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)-N'-[(E)-(4-nitrophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1453-5063
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)-N'-[(E)-(4-nitrophenyl)methylidene]-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

1453-5063

Molecular Formula

C18H12N10O6 (C18 H12 N10 O6)

Compound Name

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

IUPAC name

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

SMILES

Nc1nonc1-n1nnc(C(N/N=C/c(cc2)ccc2[N+]([O-])=O)=O)c1-c1cccc([N+]([O-])=O)c1

InChI

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

InChI Key

MWXWMLZZWITHLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00759744

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

2.616

Distribution Coefficient, logD

2.615

Water Solubility, LogSw

-3.05

Polar Surface Area

184.166

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1453-5063 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Pool
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 1453-5063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1453-5063?
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What is the minimum amount of 1453-5063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1453-5063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1453-5063
  • 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 1453-5063 available by request