8019-5222 Screening compound: 3-(4-fluorophenyl)-7-[4-methoxy-3-(propan-2-yloxy)phenyl]-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid

8019-5222 Screening compound: 3-(4-fluorophenyl)-7-[4-methoxy-3-(propan-2-yloxy)phenyl]-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid
8019-5222 Screening compound: 3-(4-fluorophenyl)-7-[4-methoxy-3-(propan-2-yloxy)phenyl]-5-oxo-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5222
3-(4-fluorophenyl)-7-[4-methoxy-3-(propan-2-yloxy)phenyl]-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

8019-5222

Molecular Formula

C24H22FNO5S (C24 H22 FNO5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)Oc(cc(C(C1)c(sc(C(O)=O)c2-c(cc3)ccc3F)c2NC1=O)cc1)c1OC

InChI

InChI=1S/C24H22FNO5S/c1-12(2)31-18-10-14(6-9-17(18)30-3)16-11-19(27)26-21-20(13-4-7-15(25)8-5-13)23(24(28)29)32-22(16)21/h4-10,12,16H,11H2,1-3H3,(H,26,27)(H,28,29)/t16-/m1/s1

InChI Key

RUZRZPPNSRGYMY-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD10038052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.187

Distribution Coefficient, logD

2.387

Water Solubility, LogSw

-4.45

Polar Surface Area

66.210

Acid Dissociation Constant (pKa)

5.61

Base Dissociation Constant (pKb)

-6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8019-5222 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8019-5222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5222?
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What is the minimum amount of 8019-5222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5222
  • 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 8019-5222 available by request