8020-0237 Screening compound: 3-(4-fluorophenyl)-7-(4-methoxyphenyl)-4H,5H,6H,7H-[1,2]thiazolo[4,5-b]pyridin-5-one

8020-0237 Screening compound: 3-(4-fluorophenyl)-7-(4-methoxyphenyl)-4H,5H,6H,7H-[1,2]thiazolo[4,5-b]pyridin-5-one
8020-0237 Screening compound: 3-(4-fluorophenyl)-7-(4-methoxyphenyl)-4H,5H,6H,7H-[1,2]thiazolo[4,5-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0237
3-(4-fluorophenyl)-7-(4-methoxyphenyl)-4H,5H,6H,7H-[1,2]thiazolo[4,5-b]pyridin-5-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

8020-0237

Molecular Formula

C19H15FN2O2S (C19 H15 FN2 O2 S)

Compound Name

3-(4-fluorophenyl)-7-(4-methoxyphenyl)-4H,5H,6H,7H-[1,2]thiazolo[4,5-b]pyridin-5-one

IUPAC name

3-(4-fluorophenyl)-7-(4-methoxyphenyl)-4H5H6H7H-[12]thiazolo[45-b]pyridin-5-one

SMILES

COc1ccc(C(C2)c(snc3-c(cc4)ccc4F)c3NC2=O)cc1

InChI

InChI=1S/C19H15FN2O2S/c1-24-14-8-4-11(5-9-14)15-10-16(23)21-18-17(22-25-19(15)18)12-2-6-13(20)7-3-12/h2-9,15H,10H2,1H3,(H,21,23)/t15-/m1/s1

InChI Key

PWPFUOQYRVUVOJ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD12034668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.514

Distribution Coefficient, logD

3.514

Water Solubility, LogSw

-3.79

Polar Surface Area

41.070

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

-5.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.79

8020-0237 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0237?
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What is the minimum amount of 8020-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0237
  • 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 8020-0237 available by request