F092-0002 Screening compound: 3-(4-ethoxyphenyl)-5-[(2-phenoxyethyl)sulfanyl]-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

F092-0002 Screening compound: 3-(4-ethoxyphenyl)-5-[(2-phenoxyethyl)sulfanyl]-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
F092-0002 Screening compound: 3-(4-ethoxyphenyl)-5-[(2-phenoxyethyl)sulfanyl]-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F092-0002
3-(4-ethoxyphenyl)-5-[(2-phenoxyethyl)sulfanyl]-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

F092-0002

Molecular Formula

C21H19N3O3S3 (C21 H19 N3 O3 S3)

Compound Name

3-(4-ethoxyphenyl)-5-[(2-phenoxyethyl)sulfanyl]-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

IUPAC name

3-(4-ethoxyphenyl)-5-[(2-phenoxyethyl)sulfanyl]-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

CCOc(cc1)ccc1N(C(N=C(NC1=O)SCCOc2ccccc2)=C1S1)C1=S

InChI

InChI=1S/C21H19N3O3S3/c1-2-26-16-10-8-14(9-11-16)24-18-17(30-21(24)28)19(25)23-20(22-18)29-13-12-27-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,22,23,25)

InChI Key

SMRNTEGSHAGSAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14940981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.326

Distribution Coefficient, logD

4.324

Water Solubility, LogSw

-4.11

Polar Surface Area

50.837

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with F092-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F092-0002?
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What is the minimum amount of F092-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F092-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F092-0002
  • 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 F092-0002 available by request