S554-0053 Screening compound: 2-phenyl-N-({6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}methyl)propanamide

S554-0053 Screening compound: 2-phenyl-N-({6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}methyl)propanamide
S554-0053 Screening compound: 2-phenyl-N-({6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}methyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S554-0053
2-phenyl-N-({6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}methyl)propanamide

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

S554-0053

Molecular Formula

C21H19N5O (C21 H19 N5 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C(NCc1nnc(cc2)n1nc2-c1ccccc1)=O)c1ccccc1

InChI

InChI=1S/C21H19N5O/c1-15(16-8-4-2-5-9-16)21(27)22-14-20-24-23-19-13-12-18(25-26(19)20)17-10-6-3-7-11-17/h2-13,15H,14H2,1H3,(H,22,27)/t15-/m1/s1

InChI Key

JYRANFZRUMEBPI-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD29010797

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

3.046

Distribution Coefficient, logD

3.046

Water Solubility, LogSw

-3.18

Polar Surface Area

57.787

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

S554-0053 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S554-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S554-0053?
Check Price and Availability of S554-0053, 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 S554-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S554-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S554-0053
  • 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 S554-0053 available by request