6011-0596 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide

6011-0596 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
6011-0596 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6011-0596
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)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

6011-0596

Molecular Formula

C17H21N9O5 (C17 H21 N9 O5)

Compound Name

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

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-(4-hydroxy-35-dimethoxyphenyl)methylidene]-1H-123-triazole-4-carbohydrazide

SMILES

CN(C)Cc1c(C(N/N=C/c(cc2OC)cc(OC)c2O)=O)nnn1-c1nonc1N

InChI

InChI=1S/C17H21N9O5/c1-25(2)8-10-13(20-24-26(10)16-15(18)22-31-23-16)17(28)21-19-7-9-5-11(29-3)14(27)12(6-9)30-4/h5-7,27H,8H2,1-4H3,(H2,18,22)(H,21,28)

InChI Key

FGWWCBKCWPNSCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03339413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.41

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

-0.181

Distribution Coefficient, logD

-0.641

Water Solubility, LogSw

-1.25

Polar Surface Area

152.782

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

7.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 6011-0596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6011-0596?
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What is the minimum amount of 6011-0596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6011-0596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6011-0596
  • 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 6011-0596 available by request