4191-0817 Screening compound: 2-(N-benzyl4-methoxybenzenesulfonamido)-N-(2-methylpropyl)acetamide

4191-0817 Screening compound: 2-(N-benzyl4-methoxybenzenesulfonamido)-N-(2-methylpropyl)acetamide
4191-0817 Screening compound: 2-(N-benzyl4-methoxybenzenesulfonamido)-N-(2-methylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4191-0817
2-(N-benzyl4-methoxybenzenesulfonamido)-N-(2-methylpropyl)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

4191-0817

Molecular Formula

C20H26N2O4S (C20 H26 N2 O4 S)

Compound Name

2-(N-benzyl4-methoxybenzenesulfonamido)-N-(2-methylpropyl)acetamide

IUPAC name

2-(N-benzyl4-methoxybenzenesulfonamido)-N-(2-methylpropyl)acetamide

SMILES

CC(C)CNC(CN(Cc1ccccc1)S(c(cc1)ccc1OC)(=O)=O)=O

InChI

InChI=1S/C20H26N2O4S/c1-16(2)13-21-20(23)15-22(14-17-7-5-4-6-8-17)27(24,25)19-11-9-18(26-3)10-12-19/h4-12,16H,13-15H2,1-3H3,(H,21,23)

InChI Key

NIMZXXMRXKTZRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01893425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.239

Distribution Coefficient, logD

3.239

Water Solubility, LogSw

-3.68

Polar Surface Area

63.629

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

4191-0817 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4191-0817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4191-0817?
Check Price and Availability of 4191-0817, 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 4191-0817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4191-0817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4191-0817
  • 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 4191-0817 available by request