F092-0119 Screening compound: N-(3-acetylphenyl)-2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide

F092-0119 Screening compound: N-(3-acetylphenyl)-2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
F092-0119 Screening compound: N-(3-acetylphenyl)-2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F092-0119
N-(3-acetylphenyl)-2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}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

F092-0119

Molecular Formula

C22H18N4O4S3 (C22 H18 N4 O4 S3)

Compound Name

N-(3-acetylphenyl)-2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide

IUPAC name

N-(3-acetylphenyl)-2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-5-yl]sulfanyl}acetamide

SMILES

CC(c1cccc(NC(CSC(NC2=O)=NC(N3c4cc(OC)ccc4)=C2SC3=S)=O)c1)=O

InChI

InChI=1S/C22H18N4O4S3/c1-12(27)13-5-3-6-14(9-13)23-17(28)11-32-21-24-19-18(20(29)25-21)33-22(31)26(19)15-7-4-8-16(10-15)30-2/h3-10H,11H2,1-2H3,(H,23,28)(H,24,25,29)

InChI Key

IVGLMZBHPHXAHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14941025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.61

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.191

Distribution Coefficient, logD

3.189

Water Solubility, LogSw

-3.49

Polar Surface Area

80.816

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

F092-0119 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 F092-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F092-0119?
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What is the minimum amount of F092-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F092-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F092-0119
  • 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 F092-0119 available by request