S554-0513 Screening compound: 3-acetamido-N-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide

S554-0513 Screening compound: 3-acetamido-N-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
S554-0513 Screening compound: 3-acetamido-N-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S554-0513
3-acetamido-N-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide

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

S554-0513

Molecular Formula

C22H20N6O2 (C22 H20 N6 O2)

Compound Name

3-acetamido-N-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide

IUPAC name

3-acetamido-N-{[6-(4-methylphenyl)-[124]triazolo[43-b]pyridazin-3-yl]methyl}benzamide

SMILES

CC(Nc1cccc(C(NCc2nnc(cc3)n2nc3-c2ccc(C)cc2)=O)c1)=O

InChI

InChI=1S/C22H20N6O2/c1-14-6-8-16(9-7-14)19-10-11-20-25-26-21(28(20)27-19)13-23-22(30)17-4-3-5-18(12-17)24-15(2)29/h3-12H,13H2,1-2H3,(H,23,30)(H,24,29)

InChI Key

GOOFVXCZTDYKCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29010904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.557

Distribution Coefficient, logD

2.557

Water Solubility, LogSw

-2.88

Polar Surface Area

81.048

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with S554-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S554-0513?
Check Price and Availability of S554-0513, 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 S554-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S554-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S554-0513
  • 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 S554-0513 available by request