2639-0137 Screening compound: ethyl 5-hydroxy-2-phenyl-4-({[(phenylcarbamoyl)methyl]sulfanyl}methyl)-1-benzofuran-3-carboxylate

2639-0137 Screening compound: ethyl 5-hydroxy-2-phenyl-4-({[(phenylcarbamoyl)methyl]sulfanyl}methyl)-1-benzofuran-3-carboxylate
2639-0137 Screening compound: ethyl 5-hydroxy-2-phenyl-4-({[(phenylcarbamoyl)methyl]sulfanyl}methyl)-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2639-0137
ethyl 5-hydroxy-2-phenyl-4-({[(phenylcarbamoyl)methyl]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

2639-0137

Molecular Formula

C26H23NO5S (C26 H23 NO5 S)

Compound Name

ethyl 5-hydroxy-2-phenyl-4-({[(phenylcarbamoyl)methyl]sulfanyl}methyl)-1-benzofuran-3-carboxylate

IUPAC name

ethyl 5-hydroxy-2-phenyl-4-({[(phenylcarbamoyl)methyl]sulfanyl}methyl)-1-benzofuran-3-carboxylate

SMILES

CCOC(c1c(-c2ccccc2)oc(cc2)c1c(CSCC(Nc1ccccc1)=O)c2O)=O

InChI

InChI=1S/C26H23NO5S/c1-2-31-26(30)24-23-19(15-33-16-22(29)27-18-11-7-4-8-12-18)20(28)13-14-21(23)32-25(24)17-9-5-3-6-10-17/h3-14,28H,2,15-16H2,1H3,(H,27,29)

InChI Key

MHVHZKJQOOJSQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.903

Distribution Coefficient, logD

5.900

Water Solubility, LogSw

-5.82

Polar Surface Area

68.672

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

2639-0137 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2639-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2639-0137?
Check Price and Availability of 2639-0137, 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 2639-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2639-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2639-0137
  • 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 2639-0137 available by request