8020-0242 Screening compound: 7-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-phenyl-4H,5H,6H,7H-[1,2]thiazolo[4,5-b]pyridin-5-one

8020-0242 Screening compound: 7-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-phenyl-4H,5H,6H,7H-[1,2]thiazolo[4,5-b]pyridin-5-one
8020-0242 Screening compound: 7-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-phenyl-4H,5H,6H,7H-[1,2]thiazolo[4,5-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0242
7-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-phenyl-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

8020-0242

Molecular Formula

C20H16N2O4S (C20 H16 N2 O4 S)

Compound Name

7-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-phenyl-4H,5H,6H,7H-[1,2]thiazolo[4,5-b]pyridin-5-one

IUPAC name

7-(7-methoxy-2H-13-benzodioxol-5-yl)-3-phenyl-4H5H6H7H-[12]thiazolo[45-b]pyridin-5-one

SMILES

COc1c2OCOc2cc(C(C2)c(snc3-c4ccccc4)c3NC2=O)c1

InChI

InChI=1S/C20H16N2O4S/c1-24-14-7-12(8-15-19(14)26-10-25-15)13-9-16(23)21-18-17(22-27-20(13)18)11-5-3-2-4-6-11/h2-8,13H,9-10H2,1H3,(H,21,23)/t13-/m1/s1

InChI Key

PJNTUUPTGQGMFB-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD12034673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.313

Distribution Coefficient, logD

3.313

Water Solubility, LogSw

-3.74

Polar Surface Area

57.956

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

-4.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8020-0242 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8020-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0242?
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What is the minimum amount of 8020-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0242
  • 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 8020-0242 available by request