4413-0096 Screening compound: N-(3-acetylphenyl)-2-[N-(2-phenylethyl)4-methoxybenzenesulfonamido]acetamide

4413-0096 Screening compound: N-(3-acetylphenyl)-2-[N-(2-phenylethyl)4-methoxybenzenesulfonamido]acetamide
4413-0096 Screening compound: N-(3-acetylphenyl)-2-[N-(2-phenylethyl)4-methoxybenzenesulfonamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4413-0096
N-(3-acetylphenyl)-2-[N-(2-phenylethyl)4-methoxybenzenesulfonamido]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

4413-0096

Molecular Formula

C25H26N2O5S (C25 H26 N2 O5 S)

Compound Name

N-(3-acetylphenyl)-2-[N-(2-phenylethyl)4-methoxybenzenesulfonamido]acetamide

IUPAC name

N-(3-acetylphenyl)-2-[N-(2-phenylethyl)4-methoxybenzenesulfonamido]acetamide

SMILES

CC(c1cccc(NC(CN(CCc2ccccc2)S(c(cc2)ccc2OC)(=O)=O)=O)c1)=O

InChI

InChI=1S/C25H26N2O5S/c1-19(28)21-9-6-10-22(17-21)26-25(29)18-27(16-15-20-7-4-3-5-8-20)33(30,31)24-13-11-23(32-2)12-14-24/h3-14,17H,15-16,18H2,1-2H3,(H,26,29)

InChI Key

RRXOBZODICHNPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03160640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.139

Distribution Coefficient, logD

4.134

Water Solubility, LogSw

-4.32

Polar Surface Area

75.841

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4413-0096 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Antiviral HBV Library (10007 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • 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 4413-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4413-0096?
Check Price and Availability of 4413-0096, 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 4413-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4413-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4413-0096
  • 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 4413-0096 available by request