S554-0581 Screening compound: N-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2-(phenylformamido)acetamide

S554-0581 Screening compound: N-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2-(phenylformamido)acetamide
S554-0581 Screening compound: N-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2-(phenylformamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S554-0581
N-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2-(phenylformamido)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

S554-0581

Molecular Formula

C22H20N6O2 (C22 H20 N6 O2)

Compound Name

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

IUPAC name

N-{[6-(4-methylphenyl)-[124]triazolo[43-b]pyridazin-3-yl]methyl}-2-(phenylformamido)acetamide

SMILES

Cc(cc1)ccc1-c(cc1)nn2c1nnc2CNC(CNC(c1ccccc1)=O)=O

InChI

InChI=1S/C22H20N6O2/c1-15-7-9-16(10-8-15)18-11-12-19-25-26-20(28(19)27-18)13-23-21(29)14-24-22(30)17-5-3-2-4-6-17/h2-12H,13-14H2,1H3,(H,23,29)(H,24,30)

InChI Key

NRICGENDSGTWQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29010933

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

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.711

Distribution Coefficient, logD

2.711

Water Solubility, LogSw

-2.99

Polar Surface Area

82.258

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

S554-0581 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Agro:
  • Agro
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with S554-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S554-0581?
Check Price and Availability of S554-0581, 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 S554-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S554-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S554-0581
  • 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 S554-0581 available by request