3461-0343 Screening compound: 2-methoxyethyl 5-(4-ethoxybenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate

3461-0343 Screening compound: 2-methoxyethyl 5-(4-ethoxybenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate
3461-0343 Screening compound: 2-methoxyethyl 5-(4-ethoxybenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-0343
2-methoxyethyl 5-(4-ethoxybenzenesulfonamido)-2-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

3461-0343

Molecular Formula

C21H23NO7S (C21 H23 NO7 S)

Compound Name

2-methoxyethyl 5-(4-ethoxybenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate

IUPAC name

2-methoxyethyl 5-(4-ethoxybenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate

SMILES

CCOc(cc1)ccc1S(Nc(cc1)cc2c1oc(C)c2C(OCCOC)=O)(=O)=O

InChI

InChI=1S/C21H23NO7S/c1-4-27-16-6-8-17(9-7-16)30(24,25)22-15-5-10-19-18(13-15)20(14(2)29-19)21(23)28-12-11-26-3/h5-10,13,22H,4,11-12H2,1-3H3

InChI Key

PYAGPKDDPVXYHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03192884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.303

Distribution Coefficient, logD

3.298

Water Solubility, LogSw

-3.69

Polar Surface Area

85.349

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-12.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

3461-0343 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

SH2 Library (10483 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3461-0343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-0343?
Check Price and Availability of 3461-0343, 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 3461-0343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-0343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-0343
  • 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 3461-0343 available by request