S554-0068 Screening compound: 2-(2-methylphenyl)-N-({6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}methyl)acetamide

S554-0068 Screening compound: 2-(2-methylphenyl)-N-({6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}methyl)acetamide
S554-0068 Screening compound: 2-(2-methylphenyl)-N-({6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}methyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S554-0068
2-(2-methylphenyl)-N-({6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}methyl)acetamide

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

S554-0068

Molecular Formula

C21H19N5O (C21 H19 N5 O)

Compound Name

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

IUPAC name

2-(2-methylphenyl)-N-({6-phenyl-[124]triazolo[43-b]pyridazin-3-yl}methyl)acetamide

SMILES

Cc1c(CC(NCc2nnc(cc3)n2nc3-c2ccccc2)=O)cccc1

InChI

InChI=1S/C21H19N5O/c1-15-7-5-6-10-17(15)13-21(27)22-14-20-24-23-19-12-11-18(25-26(19)20)16-8-3-2-4-9-16/h2-12H,13-14H2,1H3,(H,22,27)

InChI Key

GFOMIYFJQINGFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29010804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.314

Distribution Coefficient, logD

3.314

Water Solubility, LogSw

-3.33

Polar Surface Area

57.573

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

S554-0068 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with S554-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S554-0068?
Check Price and Availability of S554-0068, 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 S554-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S554-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S554-0068
  • 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 S554-0068 available by request