E218-0671 Screening compound: 7-{3-[benzyl(methyl)amino]propyl}-6-methyl-N~6~-(2-methylcyclohexyl)-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E218-0671 Screening compound: 7-{3-[benzyl(methyl)amino]propyl}-6-methyl-N~6~-(2-methylcyclohexyl)-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E218-0671 Screening compound: 7-{3-[benzyl(methyl)amino]propyl}-6-methyl-N~6~-(2-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 E218-0671
7-{3-[benzyl(methyl)amino]propyl}-6-methyl-N~6~-(2-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

E218-0671

Molecular Formula

C29H38N4O3 (C29 H38 N4 O3)

Compound Name

7-{3-[benzyl(methyl)amino]propyl}-6-methyl-N~6~-(2-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-(2-methylcyclohexyl)-9-oxo-5-oxa-110-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)37-triene-11-carboxamide

SMILES

CC(CCCC1)C1NC(C(C)(Cn1c2cc3c1cco3)N(CCCN(C)Cc1ccccc1)C2=O)=O

InChI

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

InChI Key

WCLOMZOYASIYID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14848486

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

4.561

Distribution Coefficient, logD

3.431

Water Solubility, LogSw

-4.28

Polar Surface Area

53.671

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

8.50

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

51.70

E218-0671 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E218-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E218-0671?
Check Price and Availability of E218-0671, 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 E218-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E218-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E218-0671
  • 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 E218-0671 available by request