E218-0859 Screening compound: 7-(1,3-benzodioxol-5-ylmethyl)-N~6~-(2,3-dimethylcyclohexyl)-6-methyl-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E218-0859 Screening compound: 7-(1,3-benzodioxol-5-ylmethyl)-N~6~-(2,3-dimethylcyclohexyl)-6-methyl-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E218-0859 Screening compound: 7-(1,3-benzodioxol-5-ylmethyl)-N~6~-(2,3-dimethylcyclohexyl)-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 E218-0859
7-(1,3-benzodioxol-5-ylmethyl)-N~6~-(2,3-dimethylcyclohexyl)-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

E218-0859

Molecular Formula

C27H31N3O5 (C27 H31 N3 O5)

Compound Name

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

IUPAC name

10-[(2H-13-benzodioxol-5-yl)methyl]-N-(23-dimethylcyclohexyl)-11-methyl-9-oxo-5-oxa-110-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)37-triene-11-carboxamide

SMILES

CC(CCC1)C(C)C1NC(C(C)(Cn1c2cc3c1cco3)N(Cc(cc1)cc3c1OCO3)C2=O)=O

InChI

InChI=1S/C27H31N3O5/c1-16-5-4-6-19(17(16)2)28-26(32)27(3)14-29-20-9-10-33-23(20)12-21(29)25(31)30(27)13-18-7-8-22-24(11-18)35-15-34-22/h7-12,16-17,19H,4-6,13-15H2,1-3H3,(H,28,32)

InChI Key

IPVIUTGWWBHXHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27597968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.334

Distribution Coefficient, logD

4.334

Water Solubility, LogSw

-4.33

Polar Surface Area

66.714

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

48.10

E218-0859 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

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

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E218-0859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E218-0859?
Check Price and Availability of E218-0859, 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 E218-0859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E218-0859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E218-0859
  • 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 E218-0859 available by request