8020-5291 Screening compound: 5-oxo-7-(3,4,5-trimethoxyphenyl)-4H,5H,6H,7H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid

8020-5291 Screening compound: 5-oxo-7-(3,4,5-trimethoxyphenyl)-4H,5H,6H,7H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid
8020-5291 Screening compound: 5-oxo-7-(3,4,5-trimethoxyphenyl)-4H,5H,6H,7H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5291
5-oxo-7-(3,4,5-trimethoxyphenyl)-4H,5H,6H,7H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid

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

8020-5291

Molecular Formula

C16H16N2O6S (C16 H16 N2 O6 S)

Compound Name

5-oxo-7-(3,4,5-trimethoxyphenyl)-4H,5H,6H,7H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid

IUPAC name

5-oxo-7-(345-trimethoxyphenyl)-4H5H6H7H-[12]thiazolo[45-b]pyridine-3-carboxylic acid

SMILES

COc1cc(C(C2)c(snc3C(O)=O)c3NC2=O)cc(OC)c1OC

InChI

InChI=1S/C16H16N2O6S/c1-22-9-4-7(5-10(23-2)14(9)24-3)8-6-11(19)17-12-13(16(20)21)18-25-15(8)12/h4-5,8H,6H2,1-3H3,(H,17,19)(H,20,21)/t8-/m1/s1

InChI Key

ZTSYVDQLBOTHAU-MRVPVSSYSA-N

MDL Number (MFCD)

MFCD25976058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.886

Distribution Coefficient, logD

-3.277

Water Solubility, LogSw

-2.21

Polar Surface Area

85.184

Acid Dissociation Constant (pKa)

3.24

Base Dissociation Constant (pKb)

-7.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

8020-5291 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-5291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5291?
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What is the minimum amount of 8020-5291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5291
  • 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 8020-5291 available by request