4031-1920 Screening compound: 2-(N-benzyl4-methylbenzenesulfonamido)-N-[4-(propan-2-yl)phenyl]acetamide

4031-1920 Screening compound: 2-(N-benzyl4-methylbenzenesulfonamido)-N-[4-(propan-2-yl)phenyl]acetamide
4031-1920 Screening compound: 2-(N-benzyl4-methylbenzenesulfonamido)-N-[4-(propan-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4031-1920
2-(N-benzyl4-methylbenzenesulfonamido)-N-[4-(propan-2-yl)phenyl]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

4031-1920

Molecular Formula

C25H28N2O3S (C25 H28 N2 O3 S)

Compound Name

2-(N-benzyl4-methylbenzenesulfonamido)-N-[4-(propan-2-yl)phenyl]acetamide

IUPAC name

2-(N-benzyl4-methylbenzenesulfonamido)-N-[4-(propan-2-yl)phenyl]acetamide

SMILES

CC(C)c(cc1)ccc1NC(CN(Cc1ccccc1)S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C25H28N2O3S/c1-19(2)22-11-13-23(14-12-22)26-25(28)18-27(17-21-7-5-4-6-8-21)31(29,30)24-15-9-20(3)10-16-24/h4-16,19H,17-18H2,1-3H3,(H,26,28)

InChI Key

ILHPMHYOHUQFFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01060783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.950

Distribution Coefficient, logD

5.950

Water Solubility, LogSw

-5.51

Polar Surface Area

54.492

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

4031-1920 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

Human Proteases Annotated Library (2868 compounds)

Integrin Receptors Targeted library (1715 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4031-1920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4031-1920?
Check Price and Availability of 4031-1920, 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 4031-1920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4031-1920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4031-1920
  • 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 4031-1920 available by request