S554-0811 Screening compound: 2-(3-chlorophenyl)-N-{[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide

S554-0811 Screening compound: 2-(3-chlorophenyl)-N-{[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide
S554-0811 Screening compound: 2-(3-chlorophenyl)-N-{[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S554-0811
2-(3-chlorophenyl)-N-{[6-(4-methoxyphenyl)-[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

S554-0811

Molecular Formula

C21H18ClN5O2 (C21 H18 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c(cc1)nn2c1nnc2CNC(Cc1cccc(Cl)c1)=O

InChI

InChI=1S/C21H18ClN5O2/c1-29-17-7-5-15(6-8-17)18-9-10-19-24-25-20(27(19)26-18)13-23-21(28)12-14-3-2-4-16(22)11-14/h2-11H,12-13H2,1H3,(H,23,28)

InChI Key

ZIRSTSSQEHDRLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29011044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.86

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

3.200

Distribution Coefficient, logD

3.200

Water Solubility, LogSw

-3.68

Polar Surface Area

65.117

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with S554-0811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S554-0811?
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What is the minimum amount of S554-0811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S554-0811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S554-0811
  • 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 S554-0811 available by request