F804-0043 Screening compound: 2-(6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)-N-(3-methoxyphenyl)acetamide

F804-0043 Screening compound: 2-(6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)-N-(3-methoxyphenyl)acetamide
F804-0043 Screening compound: 2-(6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)-N-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F804-0043
2-(6-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)-N-(3-methoxyphenyl)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

F804-0043

Molecular Formula

C21H18ClN5O3S (C21 H18 ClN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(NC(CN(C2=O)N=C(C=C3)N2N=C3SCc(cc2)ccc2Cl)=O)c1

InChI

InChI=1S/C21H18ClN5O3S/c1-30-17-4-2-3-16(11-17)23-19(28)12-26-21(29)27-18(24-26)9-10-20(25-27)31-13-14-5-7-15(22)8-6-14/h2-11H,12-13H2,1H3,(H,23,28)

InChI Key

FJRYGQRPYLKCMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11999093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.107

Distribution Coefficient, logD

4.107

Water Solubility, LogSw

-4.50

Polar Surface Area

75.869

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with F804-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of F804-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F804-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F804-0043
  • 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 F804-0043 available by request