E021-0427 Screening compound: 7-(2-ethoxybenzyl)-6-methyl-N~6~-(2-methylcyclohexyl)-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E021-0427 Screening compound: 7-(2-ethoxybenzyl)-6-methyl-N~6~-(2-methylcyclohexyl)-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E021-0427 Screening compound: 7-(2-ethoxybenzyl)-6-methyl-N~6~-(2-methylcyclohexyl)-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E021-0427
7-(2-ethoxybenzyl)-6-methyl-N~6~-(2-methylcyclohexyl)-8-oxo-5,6,7,8-tetrahydrothieno[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

E021-0427

Molecular Formula

C27H33N3O3S (C27 H33 N3 O3 S)

Compound Name

7-(2-ethoxybenzyl)-6-methyl-N~6~-(2-methylcyclohexyl)-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

IUPAC name

10-[(2-ethoxyphenyl)methyl]-11-methyl-N-(2-methylcyclohexyl)-9-oxo-5-thia-110-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)37-triene-11-carboxamide

SMILES

CCOc1c(CN(C(C)(Cn2c3cc4c2ccs4)C(NC2C(C)CCCC2)=O)C3=O)cccc1

InChI

InChI=1S/C27H33N3O3S/c1-4-33-23-12-8-6-10-19(23)16-30-25(31)22-15-24-21(13-14-34-24)29(22)17-27(30,3)26(32)28-20-11-7-5-9-18(20)2/h6,8,10,12-15,18,20H,4-5,7,9,11,16-17H2,1-3H3,(H,28,32)

InChI Key

FDAAAWRRLQOCCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27597510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.653

Distribution Coefficient, logD

5.653

Water Solubility, LogSw

-5.28

Polar Surface Area

49.356

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

48.10

E021-0427 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E021-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E021-0427?
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What is the minimum amount of E021-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E021-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E021-0427
  • 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 E021-0427 available by request