F804-0021 Screening compound: ethyl 2-[2-(6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamido]benzoate

F804-0021 Screening compound: ethyl 2-[2-(6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamido]benzoate
F804-0021 Screening compound: ethyl 2-[2-(6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F804-0021
ethyl 2-[2-(6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamido]benzoate

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

F804-0021

Molecular Formula

C23H20ClN5O4S (C23 H20 ClN5 O4 S)

Compound Name

ethyl 2-[2-(6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamido]benzoate

IUPAC name

ethyl 2-[2-(6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo-2H3H-[124]triazolo[43-b]pyridazin-2-yl)acetamido]benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(C1=O)N=C(C=C2)N1N=C2SCc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C23H20ClN5O4S/c1-2-33-22(31)17-5-3-4-6-18(17)25-20(30)13-28-23(32)29-19(26-28)11-12-21(27-29)34-14-15-7-9-16(24)10-8-15/h3-12H,2,13-14H2,1H3,(H,25,30)

InChI Key

IKWDJJBTILMINS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27192067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.96

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.309

Distribution Coefficient, logD

4.304

Water Solubility, LogSw

-4.60

Polar Surface Area

88.381

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

F804-0021 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F804-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F804-0021?
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What is the minimum amount of F804-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F804-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F804-0021
  • 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 F804-0021 available by request