E021-0405 Screening compound: 7-(2-methoxyethyl)-6-methyl-N~6~-(2-methylcyclohexyl)-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E021-0405 Screening compound: 7-(2-methoxyethyl)-6-methyl-N~6~-(2-methylcyclohexyl)-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E021-0405 Screening compound: 7-(2-methoxyethyl)-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 E021-0405
7-(2-methoxyethyl)-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

E021-0405

Molecular Formula

C21H29N3O3S (C21 H29 N3 O3 S)

Compound Name

7-(2-methoxyethyl)-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-methoxyethyl)-11-methyl-N-(2-methylcyclohexyl)-9-oxo-5-thia-110-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)37-triene-11-carboxamide

SMILES

CC(CCCC1)C1NC(C(C)(Cn1c2cc3c1ccs3)N(CCOC)C2=O)=O

InChI

InChI=1S/C21H29N3O3S/c1-14-6-4-5-7-15(14)22-20(26)21(2)13-23-16-8-11-28-18(16)12-17(23)19(25)24(21)9-10-27-3/h8,11-12,14-15H,4-7,9-10,13H2,1-3H3,(H,22,26)

InChI Key

RWOZRLFMLMELRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27597501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.532

Distribution Coefficient, logD

3.532

Water Solubility, LogSw

-3.75

Polar Surface Area

50.738

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

61.90

E021-0405 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antimitotic Tubulin Library (17355 compounds)

Autophagy-Targeted Library (4564 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with E021-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E021-0405?
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What is the minimum amount of E021-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E021-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E021-0405
  • 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 E021-0405 available by request