E848-1018 Screening compound: 2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-[(4-ethylphenyl)methyl]acetamide

E848-1018 Screening compound: 2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-[(4-ethylphenyl)methyl]acetamide
E848-1018 Screening compound: 2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-[(4-ethylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E848-1018
2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-[(4-ethylphenyl)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

E848-1018

Molecular Formula

C25H31N3O3S (C25 H31 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCc1ccc(CNC(Cn(cc2)c(cc3)c2cc3S(N2CCCCCC2)(=O)=O)=O)cc1

InChI

InChI=1S/C25H31N3O3S/c1-2-20-7-9-21(10-8-20)18-26-25(29)19-27-16-13-22-17-23(11-12-24(22)27)32(30,31)28-14-5-3-4-6-15-28/h7-13,16-17H,2-6,14-15,18-19H2,1H3,(H,26,29)

InChI Key

JZELSDCFMYPXDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14921253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.638

Distribution Coefficient, logD

4.638

Water Solubility, LogSw

-4.40

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

40.00

E848-1018 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E848-1018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E848-1018?
Check Price and Availability of E848-1018, 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 E848-1018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E848-1018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E848-1018
  • 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 E848-1018 available by request