F804-0555 Screening compound: N-(4-bromo-3-methylphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl}acetamide

F804-0555 Screening compound: N-(4-bromo-3-methylphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl}acetamide
F804-0555 Screening compound: N-(4-bromo-3-methylphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F804-0555
N-(4-bromo-3-methylphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl}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

F804-0555

Molecular Formula

C21H18BrN5O2S (C21 H18 BrN5 O2 S)

Compound Name

N-(4-bromo-3-methylphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl}acetamide

IUPAC name

N-(4-bromo-3-methylphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo-2H3H-[124]triazolo[43-b]pyridazin-2-yl}acetamide

SMILES

Cc(cc1)ccc1SC(C=CC1=NN2CC(Nc(cc3)cc(C)c3Br)=O)=NN1C2=O

InChI

InChI=1S/C21H18BrN5O2S/c1-13-3-6-16(7-4-13)30-20-10-9-18-24-26(21(29)27(18)25-20)12-19(28)23-15-5-8-17(22)14(2)11-15/h3-11H,12H2,1-2H3,(H,23,28)

InChI Key

QRIGOMWILAQZFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22589652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.465

Distribution Coefficient, logD

5.465

Water Solubility, LogSw

-5.31

Polar Surface Area

68.326

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with F804-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F804-0555?
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What is the minimum amount of F804-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F804-0555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F804-0555
  • 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 F804-0555 available by request