F092-0064 Screening compound: 5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

F092-0064 Screening compound: 5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
F092-0064 Screening compound: 5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F092-0064
5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

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

F092-0064

Molecular Formula

C19H14ClN3O2S3 (C19 H14 ClN3 O2 S3)

Compound Name

5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

IUPAC name

5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

COc1cccc(N(C(N=C(NC2=O)SCc(cc3)ccc3Cl)=C2S2)C2=S)c1

InChI

InChI=1S/C19H14ClN3O2S3/c1-25-14-4-2-3-13(9-14)23-16-15(28-19(23)26)17(24)22-18(21-16)27-10-11-5-7-12(20)8-6-11/h2-9H,10H2,1H3,(H,21,22,24)

InChI Key

DLVRPWUXXWQWKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14941000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.99

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.369

Distribution Coefficient, logD

4.368

Water Solubility, LogSw

-4.65

Polar Surface Area

43.840

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with F092-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F092-0064?
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What is the minimum amount of F092-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F092-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F092-0064
  • 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 F092-0064 available by request