E021-1411 Screening compound: 2-ethyl-7-(3-isopropoxypropyl)-6-methyl-N~6~-(4-methylcyclohexyl)-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E021-1411 Screening compound: 2-ethyl-7-(3-isopropoxypropyl)-6-methyl-N~6~-(4-methylcyclohexyl)-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E021-1411 Screening compound: 2-ethyl-7-(3-isopropoxypropyl)-6-methyl-N~6~-(4-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 E021-1411
2-ethyl-7-(3-isopropoxypropyl)-6-methyl-N~6~-(4-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

E021-1411

Molecular Formula

C26H39N3O3S (C26 H39 N3 O3 S)

Compound Name

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

IUPAC name

4-ethyl-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-[3-(propan-2-yloxy)propyl]-5-thia-110-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)37-triene-11-carboxamide

SMILES

CCc1cc(n(CC(C)(C(NC2CCC(C)CC2)=O)N(CCCOC(C)C)C2=O)c2c2)c2s1

InChI

InChI=1S/C26H39N3O3S/c1-6-20-14-21-23(33-20)15-22-24(30)29(12-7-13-32-17(2)3)26(5,16-28(21)22)25(31)27-19-10-8-18(4)9-11-19/h14-15,17-19H,6-13,16H2,1-5H3,(H,27,31)/t18?,19?,26-/m0/s1

InChI Key

FOXFOIOKAXZMKF-CPHAMLGRSA-N

MDL Number (MFCD)

MFCD14840483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.780

Distribution Coefficient, logD

5.780

Water Solubility, LogSw

-5.27

Polar Surface Area

49.206

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.20

E021-1411 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E021-1411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E021-1411?
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What is the minimum amount of E021-1411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E021-1411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E021-1411
  • 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 E021-1411 available by request