F092-0110 Screening compound: N-(2,4-difluorophenyl)-2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide

F092-0110 Screening compound: N-(2,4-difluorophenyl)-2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
F092-0110 Screening compound: N-(2,4-difluorophenyl)-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 F092-0110
N-(2,4-difluorophenyl)-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

F092-0110

Molecular Formula

C20H14F2N4O3S3 (C20 H14 F2 N4 O3 S3)

Compound Name

N-(2,4-difluorophenyl)-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-(24-difluorophenyl)-2-{[3-(3-methoxyphenyl)-7-oxo-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-5-yl]sulfanyl}acetamide

SMILES

COc1cccc(N(C(N=C(NC2=O)SCC(Nc(ccc(F)c3)c3F)=O)=C2S2)C2=S)c1

InChI

InChI=1S/C20H14F2N4O3S3/c1-29-12-4-2-3-11(8-12)26-17-16(32-20(26)30)18(28)25-19(24-17)31-9-15(27)23-14-6-5-10(21)7-13(14)22/h2-8H,9H2,1H3,(H,23,27)(H,24,25,28)

InChI Key

LZDULKJDTHUTTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14941020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.366

Distribution Coefficient, logD

3.361

Water Solubility, LogSw

-3.72

Polar Surface Area

66.291

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

F092-0110 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 F092-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F092-0110?
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What is the minimum amount of F092-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F092-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F092-0110
  • 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 F092-0110 available by request