4577-0209 Screening compound: methyl 2-{2-[N-(2-methoxyphenyl)methanesulfonamido]acetamido}benzoate

4577-0209 Screening compound: methyl 2-{2-[N-(2-methoxyphenyl)methanesulfonamido]acetamido}benzoate
4577-0209 Screening compound: methyl 2-{2-[N-(2-methoxyphenyl)methanesulfonamido]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4577-0209
methyl 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

4577-0209

Molecular Formula

C18H20N2O6S (C18 H20 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H20N2O6S/c1-25-16-11-7-6-10-15(16)20(27(3,23)24)12-17(21)19-14-9-5-4-8-13(14)18(22)26-2/h4-11H,12H2,1-3H3,(H,19,21)

InChI Key

SMDOQUVGGCIMDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03706617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.943

Distribution Coefficient, logD

1.927

Water Solubility, LogSw

-2.90

Polar Surface Area

82.511

Acid Dissociation Constant (pKa)

8.83

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4577-0209 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with 4577-0209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4577-0209?
Check Price and Availability of 4577-0209, 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 4577-0209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4577-0209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4577-0209
  • 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 4577-0209 available by request