E218-1542 Screening compound: N~6~-cyclooctyl-7-(3-methoxybenzyl)-2,6-dimethyl-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E218-1542 Screening compound: N~6~-cyclooctyl-7-(3-methoxybenzyl)-2,6-dimethyl-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E218-1542 Screening compound: N~6~-cyclooctyl-7-(3-methoxybenzyl)-2,6-dimethyl-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 E218-1542
N~6~-cyclooctyl-7-(3-methoxybenzyl)-2,6-dimethyl-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

E218-1542

Molecular Formula

C28H35N3O4 (C28 H35 N3 O4)

Compound Name

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

IUPAC name

N-cyclooctyl-10-[(3-methoxyphenyl)methyl]-411-dimethyl-9-oxo-5-oxa-110-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)37-triene-11-carboxamide

SMILES

CC(Cn1c2cc3c1cc(C)o3)(C(NC1CCCCCCC1)=O)N(Cc1cc(OC)ccc1)C2=O

InChI

InChI=1S/C28H35N3O4/c1-19-14-23-25(35-19)16-24-26(32)31(17-20-10-9-13-22(15-20)34-3)28(2,18-30(23)24)27(33)29-21-11-7-5-4-6-8-12-21/h9-10,13-16,21H,4-8,11-12,17-18H2,1-3H3,(H,29,33)/t28-/m0/s1

InChI Key

VRXHAKWZZMYYMJ-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD14848590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.962

Distribution Coefficient, logD

5.962

Water Solubility, LogSw

-5.36

Polar Surface Area

56.598

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

E218-1542 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E218-1542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E218-1542?
Check Price and Availability of E218-1542, 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 E218-1542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E218-1542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E218-1542
  • 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 E218-1542 available by request