C361-1073 Screening compound: 1-cyclobutanecarbonyl-N-(2,5-diethoxyphenyl)-2,3-dihydro-1H-indole-5-sulfonamide

C361-1073 Screening compound: 1-cyclobutanecarbonyl-N-(2,5-diethoxyphenyl)-2,3-dihydro-1H-indole-5-sulfonamide
C361-1073 Screening compound: 1-cyclobutanecarbonyl-N-(2,5-diethoxyphenyl)-2,3-dihydro-1H-indole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-1073
1-cyclobutanecarbonyl-N-(2,5-diethoxyphenyl)-2,3-dihydro-1H-indole-5-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

C361-1073

Molecular Formula

C23H28N2O5S (C23 H28 N2 O5 S)

Compound Name

1-cyclobutanecarbonyl-N-(2,5-diethoxyphenyl)-2,3-dihydro-1H-indole-5-sulfonamide

IUPAC name

1-cyclobutanecarbonyl-N-(25-diethoxyphenyl)-23-dihydro-1H-indole-5-sulfonamide

SMILES

CCOc(cc1)cc(NS(c(cc2)cc(CC3)c2N3C(C2CCC2)=O)(=O)=O)c1OCC

InChI

InChI=1S/C23H28N2O5S/c1-3-29-18-8-11-22(30-4-2)20(15-18)24-31(27,28)19-9-10-21-17(14-19)12-13-25(21)23(26)16-6-5-7-16/h8-11,14-16,24H,3-7,12-13H2,1-2H3

InChI Key

NDFKVNXUTREEFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.639

Distribution Coefficient, logD

3.271

Water Solubility, LogSw

-3.90

Polar Surface Area

70.726

Acid Dissociation Constant (pKa)

7.28

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

C361-1073 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 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:
  • Immune system

References: we are preparing a list of scientific research reports with C361-1073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-1073?
Check Price and Availability of C361-1073, 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 C361-1073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-1073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-1073
  • 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 C361-1073 available by request