E848-0880 Screening compound: 2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-[(4-methylphenyl)methyl]acetamide

E848-0880 Screening compound: 2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
E848-0880 Screening compound: 2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E848-0880
2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-[(4-methylphenyl)methyl]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

E848-0880

Molecular Formula

C24H29N3O3S (C24 H29 N3 O3 S)

Compound Name

2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-[(4-methylphenyl)methyl]acetamide

IUPAC name

2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-[(4-methylphenyl)methyl]acetamide

SMILES

Cc1ccc(CNC(Cn(cc2)c(cc3)c2cc3S(N2CCCCCC2)(=O)=O)=O)cc1

InChI

InChI=1S/C24H29N3O3S/c1-19-6-8-20(9-7-19)17-25-24(28)18-26-15-12-21-16-22(10-11-23(21)26)31(29,30)27-13-4-2-3-5-14-27/h6-12,15-16H,2-5,13-14,17-18H2,1H3,(H,25,28)

InChI Key

LOUXQBLNNNNEHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14921202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.131

Distribution Coefficient, logD

4.131

Water Solubility, LogSw

-4.08

Polar Surface Area

58.591

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

E848-0880 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 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

References: we are preparing a list of scientific research reports with E848-0880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E848-0880?
Check Price and Availability of E848-0880, 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 E848-0880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E848-0880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E848-0880
  • 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 E848-0880 available by request