8019-8085 Screening compound: 7-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-5-oxo-3-phenyl-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid

8019-8085 Screening compound: 7-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-5-oxo-3-phenyl-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid
8019-8085 Screening compound: 7-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-5-oxo-3-phenyl-4H,5H,6H,7H-thieno[3,2-b]pyridine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8085
7-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-5-oxo-3-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

8019-8085

Molecular Formula

C24H21NO5S (C24 H21 NO5 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(C(C1)c(sc(C(O)=O)c2-c3ccccc3)c2NC1=O)cc1)c1OCC=C

InChI

InChI=1S/C24H21NO5S/c1-3-11-30-17-10-9-15(12-18(17)29-2)16-13-19(26)25-21-20(14-7-5-4-6-8-14)23(24(27)28)31-22(16)21/h3-10,12,16H,1,11,13H2,2H3,(H,25,26)(H,27,28)/t16-/m1/s1

InChI Key

NVRQOZVKJZEARG-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD12033632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.926

Distribution Coefficient, logD

2.126

Water Solubility, LogSw

-4.22

Polar Surface Area

66.825

Acid Dissociation Constant (pKa)

5.61

Base Dissociation Constant (pKb)

-6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

8019-8085 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 8019-8085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8085?
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What is the minimum amount of 8019-8085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8085
  • 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 8019-8085 available by request