4577-1445 Screening compound: N-benzyl-2-[N-(2,3-dimethylphenyl)benzenesulfonamido]-N-methylacetamide

4577-1445 Screening compound: N-benzyl-2-[N-(2,3-dimethylphenyl)benzenesulfonamido]-N-methylacetamide
4577-1445 Screening compound: N-benzyl-2-[N-(2,3-dimethylphenyl)benzenesulfonamido]-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4577-1445
N-benzyl-2-[N-(2,3-dimethylphenyl)benzenesulfonamido]-N-methylacetamide

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

4577-1445

Molecular Formula

C24H26N2O3S (C24 H26 N2 O3 S)

Compound Name

N-benzyl-2-[N-(2,3-dimethylphenyl)benzenesulfonamido]-N-methylacetamide

IUPAC name

N-benzyl-2-[N-(23-dimethylphenyl)benzenesulfonamido]-N-methylacetamide

SMILES

Cc1cccc(N(CC(N(C)Cc2ccccc2)=O)S(c2ccccc2)(=O)=O)c1C

InChI

InChI=1S/C24H26N2O3S/c1-19-11-10-16-23(20(19)2)26(30(28,29)22-14-8-5-9-15-22)18-24(27)25(3)17-21-12-6-4-7-13-21/h4-16H,17-18H2,1-3H3

InChI Key

WROZNYYIPZQONJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03144066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.703

Distribution Coefficient, logD

4.703

Water Solubility, LogSw

-4.42

Polar Surface Area

47.386

Acid Dissociation Constant (pKa)

19.55

Base Dissociation Constant (pKb)

-3.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

4577-1445 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4577-1445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4577-1445?
Check Price and Availability of 4577-1445, 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 4577-1445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4577-1445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4577-1445
  • 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 4577-1445 available by request