4100-3062 Screening compound: 3,4-dimethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

4100-3062 Screening compound: 3,4-dimethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
4100-3062 Screening compound: 3,4-dimethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4100-3062
3,4-dimethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

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

4100-3062

Molecular Formula

C17H20N2O5S (C17 H20 N2 O5 S)

Compound Name

3,4-dimethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

IUPAC name

34-dimethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

SMILES

COc(ccc(C(NCCc(cc1)ccc1S(N)(=O)=O)=O)c1)c1OC

InChI

InChI=1S/C17H20N2O5S/c1-23-15-8-5-13(11-16(15)24-2)17(20)19-10-9-12-3-6-14(7-4-12)25(18,21)22/h3-8,11H,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)

InChI Key

AUBUDXABTUQHHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02862006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.605

Distribution Coefficient, logD

0.604

Water Solubility, LogSw

-2.17

Polar Surface Area

90.357

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

4100-3062 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Carbonic Anhydrase II Library (4939 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
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4100-3062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4100-3062?
Check Price and Availability of 4100-3062, 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 4100-3062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4100-3062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4100-3062
  • 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 4100-3062 available by request