8006-8906 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide

8006-8906 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
8006-8906 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8906
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(E)-(4-hydroxy-3-methoxyphenyl)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

8006-8906

Molecular Formula

C18H23N9O4 (C18 H23 N9 O4)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)Cc1c(C(N/N=C/c(cc2)cc(OC)c2O)=O)nnn1-c1nonc1N

InChI

InChI=1S/C18H23N9O4/c1-4-26(5-2)10-12-15(21-25-27(12)17-16(19)23-31-24-17)18(29)22-20-9-11-6-7-13(28)14(8-11)30-3/h6-9,28H,4-5,10H2,1-3H3,(H2,19,23)(H,22,29)

InChI Key

PPTRNDBHFZGUQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00827276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

0.914

Distribution Coefficient, logD

0.230

Water Solubility, LogSw

-2.07

Polar Surface Area

145.766

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

7.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8006-8906 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8906?
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What is the minimum amount of 8006-8906 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8906
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8906
  • 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 8006-8906 available by request