F092-0577 Screening compound: N-(2-chloro-4-fluorophenyl)-2-{[3-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide

F092-0577 Screening compound: N-(2-chloro-4-fluorophenyl)-2-{[3-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
F092-0577 Screening compound: N-(2-chloro-4-fluorophenyl)-2-{[3-(4-methylphenyl)-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 F092-0577
N-(2-chloro-4-fluorophenyl)-2-{[3-(4-methylphenyl)-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

F092-0577

Molecular Formula

C20H14ClFN4O2S3 (C20 H14 ClFN4 O2 S3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1N(C(N=C(NC1=O)SCC(Nc(ccc(F)c2)c2Cl)=O)=C1S1)C1=S

InChI

InChI=1S/C20H14ClFN4O2S3/c1-10-2-5-12(6-3-10)26-17-16(31-20(26)29)18(28)25-19(24-17)30-9-15(27)23-14-7-4-11(22)8-13(14)21/h2-8H,9H2,1H3,(H,23,27)(H,24,25,28)

InChI Key

AVBKRYUVJFHNBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14941195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.01

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.142

Distribution Coefficient, logD

4.137

Water Solubility, LogSw

-4.35

Polar Surface Area

58.748

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

-3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with F092-0577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F092-0577?
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What is the minimum amount of F092-0577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F092-0577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F092-0577
  • 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 F092-0577 available by request