8016-4382 Screening compound: 3,4,5-trimethoxybenzaldehyde 1-(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazone

8016-4382 Screening compound: 3,4,5-trimethoxybenzaldehyde 1-(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazone
8016-4382 Screening compound: 3,4,5-trimethoxybenzaldehyde 1-(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4382
3,4,5-trimethoxybenzaldehyde 1-(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazone

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

8016-4382

Molecular Formula

C21H20N6O3 (C21 H20 N6 O3)

Compound Name

3,4,5-trimethoxybenzaldehyde 1-(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazone

IUPAC name

(2E)-1-{3-phenyl-[124]triazolo[43-b]pyridazin-6-yl}-2-[(345-trimethoxyphenyl)methylidene]hydrazine

SMILES

COc1cc(/C=N/Nc2nn3c(-c4ccccc4)nnc3cc2)cc(OC)c1OC

InChI

InChI=1S/C21H20N6O3/c1-28-16-11-14(12-17(29-2)20(16)30-3)13-22-23-18-9-10-19-24-25-21(27(19)26-18)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,23,26)

InChI Key

CLQUQGWSNTWHMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.651

Distribution Coefficient, logD

3.651

Water Solubility, LogSw

-3.90

Polar Surface Area

77.079

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

References: we are preparing a list of scientific research reports with 8016-4382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4382?
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What is the minimum amount of 8016-4382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4382
  • 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 8016-4382 available by request