F804-0092 Screening compound: 2-(6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamide

F804-0092 Screening compound: 2-(6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamide
F804-0092 Screening compound: 2-(6-{[(4-chlorophenyl)methyl]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 F804-0092
2-(6-{[(4-chlorophenyl)methyl]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

F804-0092

Molecular Formula

C14H12ClN5O2S (C14 H12 ClN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

NC(CN(C1=O)N=C(C=C2)N1N=C2SCc(cc1)ccc1Cl)=O

InChI

InChI=1S/C14H12ClN5O2S/c15-10-3-1-9(2-4-10)8-23-13-6-5-12-17-19(7-11(16)21)14(22)20(12)18-13/h1-6H,7-8H2,(H2,16,21)

InChI Key

IPNCFQVCDHEDLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11998970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.641

Distribution Coefficient, logD

1.641

Water Solubility, LogSw

-2.63

Polar Surface Area

78.836

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

F804-0092 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 F804-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F804-0092?
Check Price and Availability of F804-0092, 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 F804-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F804-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F804-0092
  • 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 F804-0092 available by request