E218-1491 Screening compound: N~6~-cyclooctyl-7-[3-(2,6-dimethylpiperidino)propyl]-6-methyl-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E218-1491 Screening compound: N~6~-cyclooctyl-7-[3-(2,6-dimethylpiperidino)propyl]-6-methyl-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E218-1491 Screening compound: N~6~-cyclooctyl-7-[3-(2,6-dimethylpiperidino)propyl]-6-methyl-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 E218-1491
N~6~-cyclooctyl-7-[3-(2,6-dimethylpiperidino)propyl]-6-methyl-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

E218-1491

Molecular Formula

C29H44N4O3 (C29 H44 N4 O3)

Compound Name

N~6~-cyclooctyl-7-[3-(2,6-dimethylpiperidino)propyl]-6-methyl-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

IUPAC name

N-cyclooctyl-10-[3-(26-dimethylpiperidin-1-yl)propyl]-11-methyl-9-oxo-5-oxa-110-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)37-triene-11-carboxamide

SMILES

CC1N(CCCN(C(C)(Cn2c3cc4c2cco4)C(NC2CCCCCCC2)=O)C3=O)C(C)CCC1

InChI

InChI=1S/C29H44N4O3/c1-21-11-9-12-22(2)31(21)16-10-17-33-27(34)25-19-26-24(15-18-36-26)32(25)20-29(33,3)28(35)30-23-13-7-5-4-6-8-14-23/h15,18-19,21-23H,4-14,16-17,20H2,1-3H3,(H,30,35)

InChI Key

AUUUCHCGFJPFFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14848570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.254

Distribution Coefficient, logD

2.481

Water Solubility, LogSw

-4.97

Polar Surface Area

52.056

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

10.17

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

72.40

E218-1491 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

GABA Library (7115 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Eye
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Ion Channels
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with E218-1491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E218-1491?
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What is the minimum amount of E218-1491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E218-1491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E218-1491
  • 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 E218-1491 available by request