4191-3204 Screening compound: N-[(furan-2-yl)methyl]-2-[N-(4-methoxyphenyl)3,4-dimethoxybenzenesulfonamido]acetamide

4191-3204 Screening compound: N-[(furan-2-yl)methyl]-2-[N-(4-methoxyphenyl)3,4-dimethoxybenzenesulfonamido]acetamide
4191-3204 Screening compound: N-[(furan-2-yl)methyl]-2-[N-(4-methoxyphenyl)3,4-dimethoxybenzenesulfonamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4191-3204
N-[(furan-2-yl)methyl]-2-[N-(4-methoxyphenyl)3,4-dimethoxybenzenesulfonamido]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

4191-3204

Molecular Formula

C22H24N2O7S (C22 H24 N2 O7 S)

Compound Name

N-[(furan-2-yl)methyl]-2-[N-(4-methoxyphenyl)3,4-dimethoxybenzenesulfonamido]acetamide

IUPAC name

N-[(furan-2-yl)methyl]-2-[N-(4-methoxyphenyl)34-dimethoxybenzenesulfonamido]acetamide

SMILES

COc(cc1)ccc1N(CC(NCc1ccco1)=O)S(c(cc1)cc(OC)c1OC)(=O)=O

InChI

InChI=1S/C22H24N2O7S/c1-28-17-8-6-16(7-9-17)24(15-22(25)23-14-18-5-4-12-31-18)32(26,27)19-10-11-20(29-2)21(13-19)30-3/h4-13H,14-15H2,1-3H3,(H,23,25)

InChI Key

UHXLINUKVITOMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00685926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.995

Distribution Coefficient, logD

2.995

Water Solubility, LogSw

-3.64

Polar Surface Area

86.817

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

4191-3204 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 4191-3204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4191-3204?
Check Price and Availability of 4191-3204, 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 4191-3204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4191-3204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4191-3204
  • 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 4191-3204 available by request