F804-0001 Screening compound: 2-(6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)-N-phenylacetamide

F804-0001 Screening compound: 2-(6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)-N-phenylacetamide
F804-0001 Screening compound: 2-(6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F804-0001
2-(6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)-N-phenylacetamide

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

F804-0001

Molecular Formula

C20H16ClN5O2S (C20 H16 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)-N-phenylacetamide

IUPAC name

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

SMILES

O=C(CN(C1=O)N=C(C=C2)N1N=C2SCc(cc1)ccc1Cl)Nc1ccccc1

InChI

InChI=1S/C20H16ClN5O2S/c21-15-8-6-14(7-9-15)13-29-19-11-10-17-23-25(20(28)26(17)24-19)12-18(27)22-16-4-2-1-3-5-16/h1-11H,12-13H2,(H,22,27)

InChI Key

WRWFTXVBBKCRQZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.849

Distribution Coefficient, logD

3.849

Water Solubility, LogSw

-4.45

Polar Surface Area

68.326

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with F804-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F804-0001?
Check Price and Availability of F804-0001, 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 F804-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F804-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F804-0001
  • 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 F804-0001 available by request