E848-1046 Screening compound: 2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

E848-1046 Screening compound: 2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
E848-1046 Screening compound: 2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E848-1046
2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

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

E848-1046

Molecular Formula

C25H31N5O3S (C25 H31 N5 O3 S)

Compound Name

2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

IUPAC name

2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

SMILES

O=C(Cn(cc1)c(cc2)c1cc2S(N1CCCCCC1)(=O)=O)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C25H31N5O3S/c31-25(28-17-15-27(16-18-28)24-7-3-4-11-26-24)20-29-14-10-21-19-22(8-9-23(21)29)34(32,33)30-12-5-1-2-6-13-30/h3-4,7-11,14,19H,1-2,5-6,12-13,15-18,20H2

InChI Key

XVAHGALTWLJWIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14921256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.370

Distribution Coefficient, logD

3.361

Water Solubility, LogSw

-3.54

Polar Surface Area

62.284

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

E848-1046 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E848-1046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E848-1046?
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What is the minimum amount of E848-1046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E848-1046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E848-1046
  • 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 E848-1046 available by request