8019-5247 Screening compound: 3-(4-fluorophenyl)-5-oxo-7-[3-(prop-2-en-1-yloxy)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid

8019-5247 Screening compound: 3-(4-fluorophenyl)-5-oxo-7-[3-(prop-2-en-1-yloxy)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid
8019-5247 Screening compound: 3-(4-fluorophenyl)-5-oxo-7-[3-(prop-2-en-1-yloxy)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5247
3-(4-fluorophenyl)-5-oxo-7-[3-(prop-2-en-1-yloxy)phenyl]-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

8019-5247

Molecular Formula

C23H18FNO4S (C23 H18 FNO4 S)

Compound Name

3-(4-fluorophenyl)-5-oxo-7-[3-(prop-2-en-1-yloxy)phenyl]-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid

IUPAC name

3-(4-fluorophenyl)-5-oxo-7-[3-(prop-2-en-1-yloxy)phenyl]-4H5H6H7H-thieno[32-b]pyridine-2-carboxylic acid

SMILES

C=CCOc1cccc(C(C2)c(sc(C(O)=O)c3-c(cc4)ccc4F)c3NC2=O)c1

InChI

InChI=1S/C23H18FNO4S/c1-2-10-29-16-5-3-4-14(11-16)17-12-18(26)25-20-19(13-6-8-15(24)9-7-13)22(23(27)28)30-21(17)20/h2-9,11,17H,1,10,12H2,(H,25,26)(H,27,28)/t17-/m1/s1

InChI Key

MWRCAOCPSKYHLN-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD10038071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.185

Distribution Coefficient, logD

2.385

Water Solubility, LogSw

-4.41

Polar Surface Area

59.108

Acid Dissociation Constant (pKa)

5.61

Base Dissociation Constant (pKb)

-6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

8019-5247 in Drug Discovery

Included in Screening Libraries

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 8019-5247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5247?
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What is the minimum amount of 8019-5247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5247
  • 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 8019-5247 available by request