8009-1466 Screening compound: 2,5-diethyl 7-ethyl-3-methyl-4-oxo-4H,7H-thieno[2,3-b]pyridine-2,5-dicarboxylate

8009-1466 Screening compound: 2,5-diethyl 7-ethyl-3-methyl-4-oxo-4H,7H-thieno[2,3-b]pyridine-2,5-dicarboxylate
8009-1466 Screening compound: 2,5-diethyl 7-ethyl-3-methyl-4-oxo-4H,7H-thieno[2,3-b]pyridine-2,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-1466
2,5-diethyl 7-ethyl-3-methyl-4-oxo-4H,7H-thieno[2,3-b]pyridine-2,5-dicarboxylate

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

8009-1466

Molecular Formula

C16H19NO5S (C16 H19 NO5 S)

Compound Name

2,5-diethyl 7-ethyl-3-methyl-4-oxo-4H,7H-thieno[2,3-b]pyridine-2,5-dicarboxylate

IUPAC name

25-diethyl 7-ethyl-3-methyl-4-oxo-4H7H-thieno[23-b]pyridine-25-dicarboxylate

SMILES

CCN(C=C1C(OCC)=O)c(sc(C(OCC)=O)c2C)c2C1=O

InChI

InChI=1S/C16H19NO5S/c1-5-17-8-10(15(19)21-6-2)12(18)11-9(4)13(23-14(11)17)16(20)22-7-3/h8H,5-7H2,1-4H3

InChI Key

LBNIONXZNRDQCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01419295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.621

Distribution Coefficient, logD

2.621

Water Solubility, LogSw

-2.54

Polar Surface Area

57.518

Acid Dissociation Constant (pKa)

26.58

Base Dissociation Constant (pKb)

-9.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

8009-1466 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8009-1466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-1466?
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What is the minimum amount of 8009-1466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-1466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-1466
  • 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 8009-1466 available by request