1450-4787 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(3,4-dichlorophenyl)ethylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide

1450-4787 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(3,4-dichlorophenyl)ethylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide
1450-4787 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(3,4-dichlorophenyl)ethylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1450-4787
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(3,4-dichlorophenyl)ethylidene]-5-methyl-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

1450-4787

Molecular Formula

C14H12Cl2N8O2 (C14 H12 Cl2 N8 O2)

Compound Name

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

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-N'-[(1E)-1-(34-dichlorophenyl)ethylidene]-5-methyl-1H-123-triazole-4-carbohydrazide

SMILES

C/C(/c(cc1)cc(Cl)c1Cl)=N\NC(c1c(C)n(-c2nonc2N)nn1)=O

InChI

InChI=1S/C14H12Cl2N8O2/c1-6(8-3-4-9(15)10(16)5-8)18-20-14(25)11-7(2)24(23-19-11)13-12(17)21-26-22-13/h3-5H,1-2H3,(H2,17,21)(H,20,25)

InChI Key

ARRDCJSQFKZKSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00759592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.21

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

2.766

Distribution Coefficient, logD

2.632

Water Solubility, LogSw

-3.62

Polar Surface Area

117.933

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

1450-4787 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 1450-4787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1450-4787?
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What is the minimum amount of 1450-4787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1450-4787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1450-4787
  • 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 1450-4787 available by request