F804-0147 Screening compound: N-(2-chloro-4-fluorophenyl)-2-[3-oxo-6-(phenylsulfanyl)-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamide

F804-0147 Screening compound: N-(2-chloro-4-fluorophenyl)-2-[3-oxo-6-(phenylsulfanyl)-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamide
F804-0147 Screening compound: N-(2-chloro-4-fluorophenyl)-2-[3-oxo-6-(phenylsulfanyl)-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F804-0147
N-(2-chloro-4-fluorophenyl)-2-[3-oxo-6-(phenylsulfanyl)-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

F804-0147

Molecular Formula

C19H13ClFN5O2S (C19 H13 ClFN5 O2 S)

Compound Name

N-(2-chloro-4-fluorophenyl)-2-[3-oxo-6-(phenylsulfanyl)-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]acetamide

IUPAC name

N-(2-chloro-4-fluorophenyl)-2-[3-oxo-6-(phenylsulfanyl)-2H3H-[124]triazolo[43-b]pyridazin-2-yl]acetamide

SMILES

O=C(CN(C1=O)N=C(C=C2)N1N=C2Sc1ccccc1)Nc(ccc(F)c1)c1Cl

InChI

InChI=1S/C19H13ClFN5O2S/c20-14-10-12(21)6-7-15(14)22-17(27)11-25-19(28)26-16(23-25)8-9-18(24-26)29-13-4-2-1-3-5-13/h1-10H,11H2,(H,22,27)

InChI Key

STQVDENOHWXLBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27192104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.115

Distribution Coefficient, logD

4.112

Water Solubility, LogSw

-4.37

Polar Surface Area

67.628

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

F804-0147 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F804-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F804-0147?
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What is the minimum amount of F804-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F804-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F804-0147
  • 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 F804-0147 available by request