4577-1111 Screening compound: 2-[N-(2-methoxyphenyl)4-methylbenzenesulfonamido]-N-[(2-methylphenyl)methyl]acetamide

4577-1111 Screening compound: 2-[N-(2-methoxyphenyl)4-methylbenzenesulfonamido]-N-[(2-methylphenyl)methyl]acetamide
4577-1111 Screening compound: 2-[N-(2-methoxyphenyl)4-methylbenzenesulfonamido]-N-[(2-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4577-1111
2-[N-(2-methoxyphenyl)4-methylbenzenesulfonamido]-N-[(2-methylphenyl)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

4577-1111

Molecular Formula

C24H26N2O4S (C24 H26 N2 O4 S)

Compound Name

2-[N-(2-methoxyphenyl)4-methylbenzenesulfonamido]-N-[(2-methylphenyl)methyl]acetamide

IUPAC name

2-[N-(2-methoxyphenyl)4-methylbenzenesulfonamido]-N-[(2-methylphenyl)methyl]acetamide

SMILES

Cc(cc1)ccc1S(N(CC(NCc1c(C)cccc1)=O)c(cccc1)c1OC)(=O)=O

InChI

InChI=1S/C24H26N2O4S/c1-18-12-14-21(15-13-18)31(28,29)26(22-10-6-7-11-23(22)30-3)17-24(27)25-16-20-9-5-4-8-19(20)2/h4-15H,16-17H2,1-3H3,(H,25,27)

InChI Key

NJVNLQODHGBUIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05040755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.744

Distribution Coefficient, logD

4.744

Water Solubility, LogSw

-4.49

Polar Surface Area

63.593

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

-3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

4577-1111 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 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

References: we are preparing a list of scientific research reports with 4577-1111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4577-1111?
Check Price and Availability of 4577-1111, 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 4577-1111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4577-1111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4577-1111
  • 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 4577-1111 available by request