8006-5047 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(3,4-dichlorophenyl)ethylidene]-5-(methoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide

8006-5047 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(3,4-dichlorophenyl)ethylidene]-5-(methoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide
8006-5047 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(3,4-dichlorophenyl)ethylidene]-5-(methoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5047
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(3,4-dichlorophenyl)ethylidene]-5-(methoxymethyl)-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

8006-5047

Molecular Formula

C15H14Cl2N8O3 (C15 H14 Cl2 N8 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C15H14Cl2N8O3/c1-7(8-3-4-9(16)10(17)5-8)19-21-15(26)12-11(6-27-2)25(24-20-12)14-13(18)22-28-23-14/h3-5H,6H2,1-2H3,(H2,18,22)(H,21,26)

InChI Key

ZSSYZWGPRCOMEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00825445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.23

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.471

Distribution Coefficient, logD

2.337

Water Solubility, LogSw

-3.42

Polar Surface Area

125.867

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8006-5047 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8006-5047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5047?
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What is the minimum amount of 8006-5047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5047
  • 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 8006-5047 available by request