F092-0254 Screening compound: 2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

F092-0254 Screening compound: 2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
F092-0254 Screening compound: 2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F092-0254
2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]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

F092-0254

Molecular Formula

C22H20N4O2S3 (C22 H20 N4 O2 S3)

Compound Name

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

IUPAC name

2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

SMILES

Cc1ccc(CNC(CSC(NC2=O)=NC(N3c4c(C)cccc4)=C2SC3=S)=O)cc1

InChI

InChI=1S/C22H20N4O2S3/c1-13-7-9-15(10-8-13)11-23-17(27)12-30-21-24-19-18(20(28)25-21)31-22(29)26(19)16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3,(H,23,27)(H,24,25,28)

InChI Key

REKZHUIDTIEYKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14941085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.819

Distribution Coefficient, logD

3.817

Water Solubility, LogSw

-4.02

Polar Surface Area

60.467

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with F092-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F092-0254?
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What is the minimum amount of F092-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F092-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F092-0254
  • 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 F092-0254 available by request