4513-0034 Screening compound: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzene-1-sulfonamide

4513-0034 Screening compound: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzene-1-sulfonamide
4513-0034 Screening compound: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4513-0034
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzene-1-sulfonamide

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

4513-0034

Molecular Formula

C18H20N2O3S (C18 H20 N2 O3 S)

Compound Name

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzene-1-sulfonamide

IUPAC name

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(NCCc1c[nH]c(cc2)c1cc2OC)(=O)=O

InChI

InChI=1S/C18H20N2O3S/c1-13-3-6-16(7-4-13)24(21,22)20-10-9-14-12-19-18-8-5-15(23-2)11-17(14)18/h3-8,11-12,19-20H,9-10H2,1-2H3

InChI Key

OKBTYZLPIFLPBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00541075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.854

Distribution Coefficient, logD

3.853

Water Solubility, LogSw

-4.05

Polar Surface Area

59.253

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4513-0034 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Glucocorticoid receptors Library (4806 compounds)

Selective Target Activity Profiling Library (14702 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
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4513-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4513-0034?
Check Price and Availability of 4513-0034, 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 4513-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4513-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4513-0034
  • 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 4513-0034 available by request