F092-0147 Screening compound: 5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(4-chlorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

F092-0147 Screening compound: 5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(4-chlorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
F092-0147 Screening compound: 5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(4-chlorophenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F092-0147
5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(4-chlorophenyl)-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

F092-0147

Molecular Formula

C18H10Cl2FN3OS3 (C18 H10 Cl2 FN3 OS3)

Compound Name

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

IUPAC name

5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(4-chlorophenyl)-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

O=C1NC(SCc(c(F)ccc2)c2Cl)=NC(N2c(cc3)ccc3Cl)=C1SC2=S

InChI

InChI=1S/C18H10Cl2FN3OS3/c19-9-4-6-10(7-5-9)24-15-14(28-18(24)26)16(25)23-17(22-15)27-8-11-12(20)2-1-3-13(11)21/h1-7H,8H2,(H,22,23,25)

InChI Key

JOYPDXVDQXQBHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14941039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.232

Distribution Coefficient, logD

5.231

Water Solubility, LogSw

-5.79

Polar Surface Area

36.296

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

-4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with F092-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F092-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F092-0147
  • 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 F092-0147 available by request