E218-0402 Screening compound: 7-{3-[benzyl(methyl)amino]propyl}-6-methyl-N~6~-(4-methylcyclohexyl)-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E218-0402 Screening compound: 7-{3-[benzyl(methyl)amino]propyl}-6-methyl-N~6~-(4-methylcyclohexyl)-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E218-0402 Screening compound: 7-{3-[benzyl(methyl)amino]propyl}-6-methyl-N~6~-(4-methylcyclohexyl)-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 E218-0402
7-{3-[benzyl(methyl)amino]propyl}-6-methyl-N~6~-(4-methylcyclohexyl)-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

E218-0402

Molecular Formula

C29H38N4O3 (C29 H38 N4 O3)

Compound Name

7-{3-[benzyl(methyl)amino]propyl}-6-methyl-N~6~-(4-methylcyclohexyl)-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

IUPAC name

10-{3-[benzyl(methyl)amino]propyl}-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-110-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)37-triene-11-carboxamide

SMILES

CC(CC1)CCC1NC(C(C)(Cn1c2cc3c1cco3)N(CCCN(C)Cc1ccccc1)C2=O)=O

InChI

InChI=1S/C29H38N4O3/c1-21-10-12-23(13-11-21)30-28(35)29(2)20-32-24-14-17-36-26(24)18-25(32)27(34)33(29)16-7-15-31(3)19-22-8-5-4-6-9-22/h4-6,8-9,14,17-18,21,23H,7,10-13,15-16,19-20H2,1-3H3,(H,30,35)/t21?,23?,29-/m0/s1

InChI Key

YHHRBODFWNJDHM-BJFQTCHOSA-N

MDL Number (MFCD)

MFCD14848478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.051

Distribution Coefficient, logD

3.921

Water Solubility, LogSw

-4.63

Polar Surface Area

53.281

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

8.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.70

E218-0402 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cyclic Ugi PPI Library (9586 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with E218-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E218-0402?
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What is the minimum amount of E218-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E218-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E218-0402
  • 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 E218-0402 available by request