1705-0761 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(E)-(naphthalen-1-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide

1705-0761 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(E)-(naphthalen-1-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
1705-0761 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(E)-(naphthalen-1-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1705-0761
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(E)-(naphthalen-1-yl)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

1705-0761

Molecular Formula

C21H23N9O2 (C21 H23 N9 O2)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)Cc1c(C(N/N=C/c2cccc3ccccc23)=O)nnn1-c1nonc1N

InChI

InChI=1S/C21H23N9O2/c1-3-29(4-2)13-17-18(24-28-30(17)20-19(22)26-32-27-20)21(31)25-23-12-15-10-7-9-14-8-5-6-11-16(14)15/h5-12H,3-4,13H2,1-2H3,(H2,22,26)(H,25,31)

InChI Key

RAYBXWYOKDRPCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.972

Distribution Coefficient, logD

2.288

Water Solubility, LogSw

-3.22

Polar Surface Area

121.316

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

7.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

1705-0761 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 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 1705-0761 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 1705-0761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1705-0761
  • 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 1705-0761 available by request