4031-1955 Screening compound: 2-(N-benzyl3,4-dimethoxybenzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide

4031-1955 Screening compound: 2-(N-benzyl3,4-dimethoxybenzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
4031-1955 Screening compound: 2-(N-benzyl3,4-dimethoxybenzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4031-1955
2-(N-benzyl3,4-dimethoxybenzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide

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

4031-1955

Molecular Formula

C25H28N2O6S (C25 H28 N2 O6 S)

Compound Name

2-(N-benzyl3,4-dimethoxybenzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide

IUPAC name

2-(N-benzyl34-dimethoxybenzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide

SMILES

COc1ccc(CNC(CN(Cc2ccccc2)S(c(cc2)cc(OC)c2OC)(=O)=O)=O)cc1

InChI

InChI=1S/C25H28N2O6S/c1-31-21-11-9-19(10-12-21)16-26-25(28)18-27(17-20-7-5-4-6-8-20)34(29,30)22-13-14-23(32-2)24(15-22)33-3/h4-15H,16-18H2,1-3H3,(H,26,28)

InChI Key

APDBNWSRHZZTTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01060928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.355

Distribution Coefficient, logD

3.355

Water Solubility, LogSw

-3.77

Polar Surface Area

78.618

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

4031-1955 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4031-1955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4031-1955?
Check Price and Availability of 4031-1955, 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 4031-1955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4031-1955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4031-1955
  • 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 4031-1955 available by request