E218-0283 Screening compound: N~6~-cyclohexyl-2,6-dimethyl-7-[2-(4-methylpiperazino)ethyl]-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E218-0283 Screening compound: N~6~-cyclohexyl-2,6-dimethyl-7-[2-(4-methylpiperazino)ethyl]-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E218-0283 Screening compound: N~6~-cyclohexyl-2,6-dimethyl-7-[2-(4-methylpiperazino)ethyl]-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E218-0283
N~6~-cyclohexyl-2,6-dimethyl-7-[2-(4-methylpiperazino)ethyl]-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-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

E218-0283

Molecular Formula

C25H37N5O3 (C25 H37 N5 O3)

Compound Name

N~6~-cyclohexyl-2,6-dimethyl-7-[2-(4-methylpiperazino)ethyl]-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

IUPAC name

N-cyclohexyl-411-dimethyl-10-[2-(4-methylpiperazin-1-yl)ethyl]-9-oxo-5-oxa-110-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)37-triene-11-carboxamide

SMILES

CC(Cn1c2cc3c1cc(C)o3)(C(NC1CCCCC1)=O)N(CCN1CCN(C)CC1)C2=O

InChI

InChI=1S/C25H37N5O3/c1-18-15-20-22(33-18)16-21-23(31)30(14-13-28-11-9-27(3)10-12-28)25(2,17-29(20)21)24(32)26-19-7-5-4-6-8-19/h15-16,19H,4-14,17H2,1-3H3,(H,26,32)/t25-/m0/s1

InChI Key

AZDYEFIYEAOQBF-VWLOTQADSA-N

MDL Number (MFCD)

MFCD27597856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.798

Distribution Coefficient, logD

2.131

Water Solubility, LogSw

-2.99

Polar Surface Area

56.161

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.00

E218-0283 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Developmental Pathway (Hh/Wnt) Set (2238 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Others

References: we are preparing a list of scientific research reports with E218-0283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E218-0283?
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What is the minimum amount of E218-0283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E218-0283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E218-0283
  • 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 E218-0283 available by request