1705-0775 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(2,4-dichlorophenyl)ethylidene]-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide

1705-0775 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(2,4-dichlorophenyl)ethylidene]-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
1705-0775 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(2,4-dichlorophenyl)ethylidene]-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1705-0775
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(2,4-dichlorophenyl)ethylidene]-5-(4-nitrophenyl)-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

1705-0775

Molecular Formula

C19H13Cl2N9O4 (C19 H13 Cl2 N9 O4)

Compound Name

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

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-N'-[(1E)-1-(24-dichlorophenyl)ethylidene]-5-(4-nitrophenyl)-1H-123-triazole-4-carbohydrazide

SMILES

C/C(/c(ccc(Cl)c1)c1Cl)=N\NC(c1c(-c(cc2)ccc2[N+]([O-])=O)n(-c2nonc2N)nn1)=O

InChI

InChI=1S/C19H13Cl2N9O4/c1-9(13-7-4-11(20)8-14(13)21)23-25-19(31)15-16(10-2-5-12(6-3-10)30(32)33)29(28-24-15)18-17(22)26-34-27-18/h2-8H,1H3,(H2,22,26)(H,25,31)

InChI Key

LFEKVIWMSKGAES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.28

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

4.021

Distribution Coefficient, logD

4.017

Water Solubility, LogSw

-4.64

Polar Surface Area

150.072

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

1705-0775 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 1705-0775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1705-0775?
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What is the minimum amount of 1705-0775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1705-0775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1705-0775
  • 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 1705-0775 available by request