8006-4791 Screening compound: (1E)-1-[(2,4-dimethoxyphenyl)methylidene]-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine

8006-4791 Screening compound: (1E)-1-[(2,4-dimethoxyphenyl)methylidene]-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine
8006-4791 Screening compound: (1E)-1-[(2,4-dimethoxyphenyl)methylidene]-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4791
(1E)-1-[(2,4-dimethoxyphenyl)methylidene]-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine

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

8006-4791

Molecular Formula

C15H13F3N6O2 (C15 H13 F3 N6 O2)

Compound Name

(1E)-1-[(2,4-dimethoxyphenyl)methylidene]-2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazine

IUPAC name

(1E)-1-[(24-dimethoxyphenyl)methylidene]-2-[3-(trifluoromethyl)-[124]triazolo[43-b]pyridazin-6-yl]hydrazine

SMILES

COc1cc(OC)c(/C=N/Nc(cc2)nn3c2nnc3C(F)(F)F)cc1

InChI

InChI=1S/C15H13F3N6O2/c1-25-10-4-3-9(11(7-10)26-2)8-19-20-12-5-6-13-21-22-14(15(16,17)18)24(13)23-12/h3-8H,1-2H3,(H,20,23)

InChI Key

XMYGKRUKWFHSDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00490067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.220

Distribution Coefficient, logD

3.220

Water Solubility, LogSw

-3.41

Polar Surface Area

69.547

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8006-4791 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 8006-4791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4791?
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What is the minimum amount of 8006-4791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4791
  • 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 8006-4791 available by request