8019-5419 Screening compound: 3-(4-fluorophenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid

8019-5419 Screening compound: 3-(4-fluorophenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid
8019-5419 Screening compound: 3-(4-fluorophenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5419
3-(4-fluorophenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-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

8019-5419

Molecular Formula

C22H18FNO6S (C22 H18 FNO6 S)

Compound Name

3-(4-fluorophenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid

IUPAC name

3-(4-fluorophenyl)-7-(4-hydroxy-35-dimethoxyphenyl)-5-oxo-4H5H6H7H-thieno[32-b]pyridine-2-carboxylic acid

SMILES

COc1cc(C(C2)c(sc(C(O)=O)c3-c(cc4)ccc4F)c3NC2=O)cc(OC)c1O

InChI

InChI=1S/C22H18FNO6S/c1-29-14-7-11(8-15(30-2)19(14)26)13-9-16(25)24-18-17(10-3-5-12(23)6-4-10)21(22(27)28)31-20(13)18/h3-8,13,26H,9H2,1-2H3,(H,24,25)(H,27,28)/t13-/m1/s1

InChI Key

XSMYCDIHLUKXOQ-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD10038145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.646

Distribution Coefficient, logD

0.846

Water Solubility, LogSw

-2.99

Polar Surface Area

82.431

Acid Dissociation Constant (pKa)

5.61

Base Dissociation Constant (pKb)

-6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

8019-5419 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-5419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5419?
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What is the minimum amount of 8019-5419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5419
  • 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 8019-5419 available by request