S554-0388 Screening compound: N-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2-phenoxypropanamide

S554-0388 Screening compound: N-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2-phenoxypropanamide
S554-0388 Screening compound: N-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2-phenoxypropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S554-0388
N-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2-phenoxypropanamide

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

S554-0388

Molecular Formula

C21H18FN5O2 (C21 H18 FN5 O2)

Compound Name

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

IUPAC name

N-{[6-(4-fluorophenyl)-[124]triazolo[43-b]pyridazin-3-yl]methyl}-2-phenoxypropanamide

SMILES

CC(C(NCc1nnc(cc2)n1nc2-c(cc1)ccc1F)=O)Oc1ccccc1

InChI

InChI=1S/C21H18FN5O2/c1-14(29-17-5-3-2-4-6-17)21(28)23-13-20-25-24-19-12-11-18(26-27(19)20)15-7-9-16(22)10-8-15/h2-12,14H,13H2,1H3,(H,23,28)/t14-/m0/s1

InChI Key

IBABIWHEAVCOQI-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29010998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.4

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

2.703

Distribution Coefficient, logD

2.703

Water Solubility, LogSw

-3.00

Polar Surface Area

64.576

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

S554-0388 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S554-0388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S554-0388?
Check Price and Availability of S554-0388, 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 S554-0388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S554-0388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S554-0388
  • 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 S554-0388 available by request