8020-5293 Screening compound: 5-oxo-7-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid

8020-5293 Screening compound: 5-oxo-7-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid
8020-5293 Screening compound: 5-oxo-7-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H-[1,2]thiazolo[4,5-b]pyridine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5293
5-oxo-7-[4-(trifluoromethyl)phenyl]-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

8020-5293

Molecular Formula

C14H9F3N2O3S (C14 H9 F3 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

OC(c1nsc(C(C2)c3ccc(C(F)(F)F)cc3)c1NC2=O)=O

InChI

InChI=1S/C14H9F3N2O3S/c15-14(16,17)7-3-1-6(2-4-7)8-5-9(20)18-10-11(13(21)22)19-23-12(8)10/h1-4,8H,5H2,(H,18,20)(H,21,22)/t8-/m1/s1

InChI Key

ZTYWPVXBXGFRCV-MRVPVSSYSA-N

MDL Number (MFCD)

MFCD25976059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.992

Distribution Coefficient, logD

-2.170

Water Solubility, LogSw

-2.60

Polar Surface Area

62.206

Acid Dissociation Constant (pKa)

3.24

Base Dissociation Constant (pKb)

-7.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

8020-5293 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8020-5293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5293?
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What is the minimum amount of 8020-5293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5293
  • 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 8020-5293 available by request