E021-0390 Screening compound: 6-methyl-N~6~-(2-methylcyclohexyl)-8-oxo-7-(3-phenylpropyl)-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E021-0390 Screening compound: 6-methyl-N~6~-(2-methylcyclohexyl)-8-oxo-7-(3-phenylpropyl)-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E021-0390 Screening compound: 6-methyl-N~6~-(2-methylcyclohexyl)-8-oxo-7-(3-phenylpropyl)-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 E021-0390
6-methyl-N~6~-(2-methylcyclohexyl)-8-oxo-7-(3-phenylpropyl)-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

E021-0390

Molecular Formula

C27H33N3O2S (C27 H33 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CCCC1)C1NC(C(C)(Cn1c2cc3c1ccs3)N(CCCc1ccccc1)C2=O)=O

InChI

InChI=1S/C27H33N3O2S/c1-19-9-6-7-13-21(19)28-26(32)27(2)18-29-22-14-16-33-24(22)17-23(29)25(31)30(27)15-8-12-20-10-4-3-5-11-20/h3-5,10-11,14,16-17,19,21H,6-9,12-13,15,18H2,1-2H3,(H,28,32)

InChI Key

BKQWTNJIPUUZJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27644151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.951

Distribution Coefficient, logD

5.951

Water Solubility, LogSw

-5.39

Polar Surface Area

42.124

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

48.10

E021-0390 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E021-0390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E021-0390?
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What is the minimum amount of E021-0390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E021-0390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E021-0390
  • 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 E021-0390 available by request