1766-1151 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N'-[(E)-(3-methylthiophen-2-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide

1766-1151 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N'-[(E)-(3-methylthiophen-2-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
1766-1151 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N'-[(E)-(3-methylthiophen-2-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1766-1151
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N'-[(E)-(3-methylthiophen-2-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

1766-1151

Molecular Formula

C12H12N8O2S (C12 H12 N8 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(/C=N/NC(c2c(C)n(-c3nonc3N)nn2)=O)scc1

InChI

InChI=1S/C12H12N8O2S/c1-6-3-4-23-8(6)5-14-16-12(21)9-7(2)20(19-15-9)11-10(13)17-22-18-11/h3-5H,1-2H3,(H2,13,17)(H,16,21)

InChI Key

RLYROKFLGKYQHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01113471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.670

Distribution Coefficient, logD

1.668

Water Solubility, LogSw

-2.39

Polar Surface Area

119.663

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

1766-1151 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Pool

References: we are preparing a list of scientific research reports with 1766-1151 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1766-1151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1766-1151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1766-1151
  • 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 1766-1151 available by request