F092-0040 Screening compound: 3-(4-ethoxyphenyl)-5-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

F092-0040 Screening compound: 3-(4-ethoxyphenyl)-5-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
F092-0040 Screening compound: 3-(4-ethoxyphenyl)-5-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]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 F092-0040
3-(4-ethoxyphenyl)-5-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]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

F092-0040

Molecular Formula

C21H24N4O3S3 (C21 H24 N4 O3 S3)

Compound Name

3-(4-ethoxyphenyl)-5-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

IUPAC name

3-(4-ethoxyphenyl)-5-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

CCOc(cc1)ccc1N(C(N=C(NC1=O)SCC(N2C(C)CCCC2)=O)=C1S1)C1=S

InChI

InChI=1S/C21H24N4O3S3/c1-3-28-15-9-7-14(8-10-15)25-18-17(31-21(25)29)19(27)23-20(22-18)30-12-16(26)24-11-5-4-6-13(24)2/h7-10,13H,3-6,11-12H2,1-2H3,(H,22,23,27)/t13-/m0/s1

InChI Key

WUVBTJLZOQZQGC-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14940991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.244

Distribution Coefficient, logD

3.242

Water Solubility, LogSw

-3.54

Polar Surface Area

59.097

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

F092-0040 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F092-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F092-0040?
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What is the minimum amount of F092-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F092-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F092-0040
  • 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 F092-0040 available by request