E218-0191 Screening compound: N~6~-cyclohexyl-2,6-dimethyl-8-oxo-7-phenethyl-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E218-0191 Screening compound: N~6~-cyclohexyl-2,6-dimethyl-8-oxo-7-phenethyl-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E218-0191 Screening compound: N~6~-cyclohexyl-2,6-dimethyl-8-oxo-7-phenethyl-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 E218-0191
N~6~-cyclohexyl-2,6-dimethyl-8-oxo-7-phenethyl-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

E218-0191

Molecular Formula

C26H31N3O3 (C26 H31 N3 O3)

Compound Name

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

IUPAC name

N-cyclohexyl-411-dimethyl-9-oxo-10-(2-phenylethyl)-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(CCc1ccccc1)C2=O

InChI

InChI=1S/C26H31N3O3/c1-18-15-21-23(32-18)16-22-24(30)29(14-13-19-9-5-3-6-10-19)26(2,17-28(21)22)25(31)27-20-11-7-4-8-12-20/h3,5-6,9-10,15-16,20H,4,7-8,11-14,17H2,1-2H3,(H,27,31)/t26-/m0/s1

InChI Key

MDZRVCJKSXBGHS-SANMLTNESA-N

MDL Number (MFCD)

MFCD27597828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.014

Distribution Coefficient, logD

5.014

Water Solubility, LogSw

-4.59

Polar Surface Area

48.701

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

E218-0191 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with E218-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E218-0191?
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What is the minimum amount of E218-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E218-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E218-0191
  • 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 E218-0191 available by request