S554-0008 Screening compound: 2-(3-methoxyphenyl)-N-({6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}methyl)acetamide

S554-0008 Screening compound: 2-(3-methoxyphenyl)-N-({6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}methyl)acetamide
S554-0008 Screening compound: 2-(3-methoxyphenyl)-N-({6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}methyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S554-0008
2-(3-methoxyphenyl)-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

S554-0008

Molecular Formula

C21H19N5O2 (C21 H19 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(CC(NCc2nnc(cc3)n2nc3-c2ccccc2)=O)c1

InChI

InChI=1S/C21H19N5O2/c1-28-17-9-5-6-15(12-17)13-21(27)22-14-20-24-23-19-11-10-18(25-26(19)20)16-7-3-2-4-8-16/h2-12H,13-14H2,1H3,(H,22,27)

InChI Key

BIOCHFRHXGGIGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29010868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.512

Distribution Coefficient, logD

2.512

Water Solubility, LogSw

-2.85

Polar Surface Area

65.117

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

S554-0008 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

CNS Targets (44014 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with S554-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S554-0008?
Check Price and Availability of S554-0008, 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 S554-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S554-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S554-0008
  • 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 S554-0008 available by request