1705-0790 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-chlorophenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

1705-0790 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-chlorophenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
1705-0790 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-chlorophenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1705-0790
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-chlorophenyl)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

1705-0790

Molecular Formula

C18H13ClN8O2 (C18 H13 ClN8 O2)

Compound Name

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

IUPAC name

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

SMILES

Nc1nonc1-n1nnc(C(N/N=C/c2cccc(Cl)c2)=O)c1-c1ccccc1

InChI

InChI=1S/C18H13ClN8O2/c19-13-8-4-5-11(9-13)10-21-23-18(28)14-15(12-6-2-1-3-7-12)27(26-22-14)17-16(20)24-29-25-17/h1-10H,(H2,20,24)(H,23,28)

InChI Key

IAJNQNRJPHHGOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.81

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

3.258

Distribution Coefficient, logD

3.256

Water Solubility, LogSw

-3.68

Polar Surface Area

117.403

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1705-0790 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1705-0790 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1705-0790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1705-0790
  • 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 1705-0790 available by request