8008-9741 Screening compound: ethyl 5-(acetyloxy)-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-1-benzofuran-3-carboxylate

8008-9741 Screening compound: ethyl 5-(acetyloxy)-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-1-benzofuran-3-carboxylate
8008-9741 Screening compound: ethyl 5-(acetyloxy)-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9741
ethyl 5-(acetyloxy)-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-1-benzofuran-3-carboxylate

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

8008-9741

Molecular Formula

C22H20N2O5S (C22 H20 N2 O5 S)

Compound Name

ethyl 5-(acetyloxy)-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-1-benzofuran-3-carboxylate

IUPAC name

ethyl 5-(acetyloxy)-2-{[(3-cyano-46-dimethylpyridin-2-yl)sulfanyl]methyl}-1-benzofuran-3-carboxylate

SMILES

CCOC(c1c(CSc2nc(C)cc(C)c2C#N)oc(cc2)c1cc2OC(C)=O)=O

InChI

InChI=1S/C22H20N2O5S/c1-5-27-22(26)20-16-9-15(28-14(4)25)6-7-18(16)29-19(20)11-30-21-17(10-23)12(2)8-13(3)24-21/h6-9H,5,11H2,1-4H3

InChI Key

MAEBDSNJDPNJRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01121922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.003

Distribution Coefficient, logD

4.003

Water Solubility, LogSw

-4.10

Polar Surface Area

74.778

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

8008-9741 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8008-9741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9741?
Check Price and Availability of 8008-9741, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8008-9741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9741
  • 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 8008-9741 available by request