F804-1159 Screening compound: 2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl}-N-[3-(methylsulfanyl)phenyl]acetamide

F804-1159 Screening compound: 2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
F804-1159 Screening compound: 2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl}-N-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F804-1159
2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl}-N-[3-(methylsulfanyl)phenyl]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

F804-1159

Molecular Formula

C20H16FN5O2S2 (C20 H16 FN5 O2 S2)

Compound Name

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

IUPAC name

2-{6-[(3-fluorophenyl)sulfanyl]-3-oxo-2H3H-[124]triazolo[43-b]pyridazin-2-yl}-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

CSc1cccc(NC(CN(C2=O)N=C(C=C3)N2N=C3Sc2cc(F)ccc2)=O)c1

InChI

InChI=1S/C20H16FN5O2S2/c1-29-15-6-3-5-14(11-15)22-18(27)12-25-20(28)26-17(23-25)8-9-19(24-26)30-16-7-2-4-13(21)10-16/h2-11H,12H2,1H3,(H,22,27)

InChI Key

CWTBGLQODGYCBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27192270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.247

Distribution Coefficient, logD

4.247

Water Solubility, LogSw

-4.30

Polar Surface Area

68.326

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with F804-1159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F804-1159?
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What is the minimum amount of F804-1159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F804-1159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F804-1159
  • 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 F804-1159 available by request