E218-1742 Screening compound: N~6~-cycloheptyl-7-[2-(diisobutylamino)ethyl]-6-methyl-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E218-1742 Screening compound: N~6~-cycloheptyl-7-[2-(diisobutylamino)ethyl]-6-methyl-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E218-1742 Screening compound: N~6~-cycloheptyl-7-[2-(diisobutylamino)ethyl]-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 E218-1742
N~6~-cycloheptyl-7-[2-(diisobutylamino)ethyl]-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

E218-1742

Molecular Formula

C28H44N4O3 (C28 H44 N4 O3)

Compound Name

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

IUPAC name

10-{2-[bis(2-methylpropyl)amino]ethyl}-N-cycloheptyl-11-methyl-9-oxo-5-oxa-110-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)37-triene-11-carboxamide

SMILES

CC(C)CN(CCN(C(C)(Cn1c2cc3c1cco3)C(NC1CCCCCC1)=O)C2=O)CC(C)C

InChI

InChI=1S/C28H44N4O3/c1-20(2)17-30(18-21(3)4)13-14-32-26(33)24-16-25-23(12-15-35-25)31(24)19-28(32,5)27(34)29-22-10-8-6-7-9-11-22/h12,15-16,20-22H,6-11,13-14,17-19H2,1-5H3,(H,29,34)/t28-/m0/s1

InChI Key

DKCKCQAFFBXNEY-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD14848696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.614

Distribution Coefficient, logD

4.855

Water Solubility, LogSw

-5.21

Polar Surface Area

53.752

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

8.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.40

E218-1742 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with E218-1742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E218-1742?
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What is the minimum amount of E218-1742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E218-1742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E218-1742
  • 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 E218-1742 available by request