E234-0239 Screening compound: 2-[3-(azepan-1-yl)propyl]-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide

E234-0239 Screening compound: 2-[3-(azepan-1-yl)propyl]-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide
E234-0239 Screening compound: 2-[3-(azepan-1-yl)propyl]-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E234-0239
2-[3-(azepan-1-yl)propyl]-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide

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

E234-0239

Molecular Formula

C29H42N4O3 (C29 H42 N4 O3)

Compound Name

2-[3-(azepan-1-yl)propyl]-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide

IUPAC name

2-[3-(azepan-1-yl)propyl]-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-1H2H3H4H-pyrazino[12-a]indole-3-carboxamide

SMILES

CC(Cn(c1c2)c3c2ccc(OC)c3)(C(NC2CCCCC2)=O)N(CCCN2CCCCCC2)C1=O

InChI

InChI=1S/C29H42N4O3/c1-29(28(35)30-23-11-6-5-7-12-23)21-32-25-20-24(36-2)14-13-22(25)19-26(32)27(34)33(29)18-10-17-31-15-8-3-4-9-16-31/h13-14,19-20,23H,3-12,15-18,21H2,1-2H3,(H,30,35)/t29-/m0/s1

InChI Key

PANGRDCSZKMQPE-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD14850860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.156

Distribution Coefficient, logD

2.912

Water Solubility, LogSw

-5.25

Polar Surface Area

52.573

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

9.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.50

E234-0239 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Cyclic Ugi PPI Library (9586 compounds)

GABA Library (7115 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • Receptor's ligands
  • PPI modulators
Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • GPCR

References: we are preparing a list of scientific research reports with E234-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E234-0239?
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What is the minimum amount of E234-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E234-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E234-0239
  • 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 E234-0239 available by request