4031-0418 Screening compound: 2-(N-benzyl4-methoxybenzenesulfonamido)-N-(2-chlorophenyl)acetamide

4031-0418 Screening compound: 2-(N-benzyl4-methoxybenzenesulfonamido)-N-(2-chlorophenyl)acetamide
4031-0418 Screening compound: 2-(N-benzyl4-methoxybenzenesulfonamido)-N-(2-chlorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4031-0418
2-(N-benzyl4-methoxybenzenesulfonamido)-N-(2-chlorophenyl)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

4031-0418

Molecular Formula

C22H21ClN2O4S (C22 H21 ClN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1S(N(CC(Nc(cccc1)c1Cl)=O)Cc1ccccc1)(=O)=O

InChI

InChI=1S/C22H21ClN2O4S/c1-29-18-11-13-19(14-12-18)30(27,28)25(15-17-7-3-2-4-8-17)16-22(26)24-21-10-6-5-9-20(21)23/h2-14H,15-16H2,1H3,(H,24,26)

InChI Key

HXKIIFZCHKQQNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01893539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.222

Distribution Coefficient, logD

4.211

Water Solubility, LogSw

-4.30

Polar Surface Area

61.338

Acid Dissociation Constant (pKa)

8.99

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

4031-0418 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

CNS targets activity set (6557 compounds)

Proline Kinase Library (2105 compounds)

Serine Proteases Inhibitors Library (32732 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:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with 4031-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4031-0418?
Check Price and Availability of 4031-0418, 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 4031-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4031-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4031-0418
  • 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 4031-0418 available by request