4577-1726 Screening compound: ethyl 2-{2-[N-(2-methoxyphenyl)methanesulfonamido]acetamido}benzoate

4577-1726 Screening compound: ethyl 2-{2-[N-(2-methoxyphenyl)methanesulfonamido]acetamido}benzoate
4577-1726 Screening compound: ethyl 2-{2-[N-(2-methoxyphenyl)methanesulfonamido]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4577-1726
ethyl 2-{2-[N-(2-methoxyphenyl)methanesulfonamido]acetamido}benzoate

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

4577-1726

Molecular Formula

C19H22N2O6S (C19 H22 N2 O6 S)

Compound Name

ethyl 2-{2-[N-(2-methoxyphenyl)methanesulfonamido]acetamido}benzoate

IUPAC name

ethyl 2-{2-[N-(2-methoxyphenyl)methanesulfonamido]acetamido}benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(c(cccc1)c1OC)S(C)(=O)=O)=O)=O

InChI

InChI=1S/C19H22N2O6S/c1-4-27-19(23)14-9-5-6-10-15(14)20-18(22)13-21(28(3,24)25)16-11-7-8-12-17(16)26-2/h5-12H,4,13H2,1-3H3,(H,20,22)

InChI Key

ZFUIWVUZICTBFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03706715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.46

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

2.487

Distribution Coefficient, logD

2.471

Water Solubility, LogSw

-2.97

Polar Surface Area

82.091

Acid Dissociation Constant (pKa)

8.83

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

4577-1726 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Glucocorticoid receptors Library (4806 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4577-1726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4577-1726?
Check Price and Availability of 4577-1726, 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 4577-1726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4577-1726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4577-1726
  • 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 4577-1726 available by request