E021-1217 Screening compound: N~6~-cyclohexyl-2-ethyl-6-methyl-8-oxo-7-[3-(1-pyrrolidinyl)propyl]-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E021-1217 Screening compound: N~6~-cyclohexyl-2-ethyl-6-methyl-8-oxo-7-[3-(1-pyrrolidinyl)propyl]-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E021-1217 Screening compound: N~6~-cyclohexyl-2-ethyl-6-methyl-8-oxo-7-[3-(1-pyrrolidinyl)propyl]-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 E021-1217
N~6~-cyclohexyl-2-ethyl-6-methyl-8-oxo-7-[3-(1-pyrrolidinyl)propyl]-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

E021-1217

Molecular Formula

C26H38N4O2S (C26 H38 N4 O2 S)

Compound Name

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

IUPAC name

N-cyclohexyl-4-ethyl-11-methyl-9-oxo-10-[3-(pyrrolidin-1-yl)propyl]-5-thia-110-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)37-triene-11-carboxamide

SMILES

CCc1cc(n(CC(C)(C(NC2CCCCC2)=O)N(CCCN2CCCC2)C2=O)c2c2)c2s1

InChI

InChI=1S/C26H38N4O2S/c1-3-20-16-21-23(33-20)17-22-24(31)30(15-9-14-28-12-7-8-13-28)26(2,18-29(21)22)25(32)27-19-10-5-4-6-11-19/h16-17,19H,3-15,18H2,1-2H3,(H,27,32)/t26-/m0/s1

InChI Key

WBBRMZXGEVFNKP-SANMLTNESA-N

MDL Number (MFCD)

MFCD14840450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.825

Distribution Coefficient, logD

2.120

Water Solubility, LogSw

-4.45

Polar Surface Area

46.082

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

10.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.20

E021-1217 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Cyclic Ugi PPI Library (9586 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with E021-1217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E021-1217?
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What is the minimum amount of E021-1217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E021-1217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E021-1217
  • 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 E021-1217 available by request