1322-0129 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,3-dimethoxyphenyl)methylidene]-4-methyl-1H-1,2,3-triazole-5-carbohydrazide

1322-0129 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,3-dimethoxyphenyl)methylidene]-4-methyl-1H-1,2,3-triazole-5-carbohydrazide
1322-0129 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,3-dimethoxyphenyl)methylidene]-4-methyl-1H-1,2,3-triazole-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1322-0129
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,3-dimethoxyphenyl)methylidene]-4-methyl-1H-1,2,3-triazole-5-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

1322-0129

Molecular Formula

C15H16N8O4 (C15 H16 N8 O4)

Compound Name

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

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-N'-[(E)-(23-dimethoxyphenyl)methylidene]-4-methyl-1H-123-triazole-5-carbohydrazide

SMILES

Cc1c(C(N/N=C/c(cccc2OC)c2OC)=O)n(-c2nonc2N)nn1

InChI

InChI=1S/C15H16N8O4/c1-8-11(23(22-18-8)14-13(16)20-27-21-14)15(24)19-17-7-9-5-4-6-10(25-2)12(9)26-3/h4-7H,1-3H3,(H2,16,20)(H,19,24)

InChI Key

FNHBCZYOEDZQRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00994829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.34

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.349

Distribution Coefficient, logD

1.347

Water Solubility, LogSw

-1.94

Polar Surface Area

132.828

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

1322-0129 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1322-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1322-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1322-0129
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1322-0129
  • 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 1322-0129 available by request