8019-5416 Screening compound: 7-[4-(benzyloxy)phenyl]-3-(4-fluorophenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid

8019-5416 Screening compound: 7-[4-(benzyloxy)phenyl]-3-(4-fluorophenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid
8019-5416 Screening compound: 7-[4-(benzyloxy)phenyl]-3-(4-fluorophenyl)-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5416
7-[4-(benzyloxy)phenyl]-3-(4-fluorophenyl)-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

8019-5416

Molecular Formula

C27H20FNO4S (C27 H20 FNO4 S)

Compound Name

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

IUPAC name

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

SMILES

OC(c(sc(C(C1)c(cc2)ccc2OCc2ccccc2)c2NC1=O)c2-c(cc1)ccc1F)=O

InChI

InChI=1S/C27H20FNO4S/c28-19-10-6-18(7-11-19)23-24-25(34-26(23)27(31)32)21(14-22(30)29-24)17-8-12-20(13-9-17)33-15-16-4-2-1-3-5-16/h1-13,21H,14-15H2,(H,29,30)(H,31,32)/t21-/m1/s1

InChI Key

TUKWLSRXTMVGKV-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD10038142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.52

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

4.991

Distribution Coefficient, logD

3.191

Water Solubility, LogSw

-4.90

Polar Surface Area

58.918

Acid Dissociation Constant (pKa)

5.61

Base Dissociation Constant (pKb)

-6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

8019-5416 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8019-5416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5416?
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What is the minimum amount of 8019-5416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5416
  • 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 8019-5416 available by request