E218-1544 Screening compound: N~6~-cyclooctyl-7-(4-fluorobenzyl)-2,6-dimethyl-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E218-1544 Screening compound: N~6~-cyclooctyl-7-(4-fluorobenzyl)-2,6-dimethyl-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E218-1544 Screening compound: N~6~-cyclooctyl-7-(4-fluorobenzyl)-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 E218-1544
N~6~-cyclooctyl-7-(4-fluorobenzyl)-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

E218-1544

Molecular Formula

C27H32FN3O3 (C27 H32 FN3 O3)

Compound Name

N~6~-cyclooctyl-7-(4-fluorobenzyl)-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-[(4-fluorophenyl)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(Cc(cc1)ccc1F)C2=O

InChI

InChI=1S/C27H32FN3O3/c1-18-14-22-24(34-18)15-23-25(32)31(16-19-10-12-20(28)13-11-19)27(2,17-30(22)23)26(33)29-21-8-6-4-3-5-7-9-21/h10-15,21H,3-9,16-17H2,1-2H3,(H,29,33)/t27-/m0/s1

InChI Key

ZZXKITYFCRJNRB-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14848591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.936

Distribution Coefficient, logD

5.936

Water Solubility, LogSw

-5.39

Polar Surface Area

49.054

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

E218-1544 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 E218-1544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E218-1544?
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What is the minimum amount of E218-1544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E218-1544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E218-1544
  • 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 E218-1544 available by request