8006-3243 Screening compound: 6-methyl-1-(2-nitrobenzyl)-1H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate

8006-3243 Screening compound: 6-methyl-1-(2-nitrobenzyl)-1H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate
8006-3243 Screening compound: 6-methyl-1-(2-nitrobenzyl)-1H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-3243
6-methyl-1-(2-nitrobenzyl)-1H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate

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

8006-3243

Molecular Formula

C13H11N5O3 (C13 H11 N5 O3)

Compound Name

6-methyl-1-(2-nitrobenzyl)-1H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate

IUPAC name

6-methyl-1-[(2-nitrophenyl)methyl]-1H-4lambda5-[124]triazolo[43-b]pyridazin-4-ylium-8-olate

SMILES

Cc(cc1[O-])n[n+]2c1n(Cc(cccc1)c1[N+]([O-])=O)nc2

InChI

InChI=1S/C13H11N5O3/c1-9-6-12(19)13-16(14-8-17(13)15-9)7-10-4-2-3-5-11(10)18(20)21/h2-6,8H,7H2,1H3

InChI Key

HLTZBJIDDSYJRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.234

Distribution Coefficient, logD

1.234

Water Solubility, LogSw

-1.87

Polar Surface Area

73.685

Acid Dissociation Constant (pKa)

26.41

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

References: we are preparing a list of scientific research reports with 8006-3243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-3243?
Check Price and Availability of 8006-3243, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8006-3243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-3243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-3243
  • 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 8006-3243 available by request