F804-0224 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[6-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamide

F804-0224 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[6-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamide
F804-0224 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[6-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F804-0224
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[6-(cyclohexylsulfanyl)-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

F804-0224

Molecular Formula

C21H24ClN5O3S (C21 H24 ClN5 O3 S)

Compound Name

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[6-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamide

IUPAC name

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[6-(cyclohexylsulfanyl)-3-oxo-2H3H-[124]triazolo[43-b]pyridazin-2-yl]acetamide

SMILES

Cc(cc(c(OC)c1)NC(CN(C2=O)N=C(C=C3)N2N=C3SC2CCCCC2)=O)c1Cl

InChI

InChI=1S/C21H24ClN5O3S/c1-13-10-16(17(30-2)11-15(13)22)23-19(28)12-26-21(29)27-18(24-26)8-9-20(25-27)31-14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3,(H,23,28)

InChI Key

CGJIOXRRHIYFSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27192134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.220

Distribution Coefficient, logD

5.219

Water Solubility, LogSw

-5.69

Polar Surface Area

75.450

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

F804-0224 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F804-0224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F804-0224?
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What is the minimum amount of F804-0224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F804-0224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F804-0224
  • 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 F804-0224 available by request