F092-0226 Screening compound: methyl 4-methoxy-3-({[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)benzoate

F092-0226 Screening compound: methyl 4-methoxy-3-({[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)benzoate
F092-0226 Screening compound: methyl 4-methoxy-3-({[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F092-0226
methyl 4-methoxy-3-({[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)benzoate

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

F092-0226

Molecular Formula

C22H19N3O4S3 (C22 H19 N3 O4 S3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1N(C(N=C(NC1=O)SCc(cc(cc2)C(OC)=O)c2OC)=C1S1)C1=S

InChI

InChI=1S/C22H19N3O4S3/c1-12-6-4-5-7-15(12)25-18-17(32-22(25)30)19(26)24-21(23-18)31-11-14-10-13(20(27)29-3)8-9-16(14)28-2/h4-10H,11H2,1-3H3,(H,23,24,26)

InChI Key

VLLPBBJRUKJLMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14941073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.527

Distribution Coefficient, logD

4.526

Water Solubility, LogSw

-4.31

Polar Surface Area

64.799

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

F092-0226 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F092-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F092-0226?
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What is the minimum amount of F092-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F092-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F092-0226
  • 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 F092-0226 available by request