E021-0331 Screening compound: 7-cyclopentyl-N~6~-(2,3-dimethylcyclohexyl)-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E021-0331 Screening compound: 7-cyclopentyl-N~6~-(2,3-dimethylcyclohexyl)-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E021-0331 Screening compound: 7-cyclopentyl-N~6~-(2,3-dimethylcyclohexyl)-6-methyl-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 E021-0331
7-cyclopentyl-N~6~-(2,3-dimethylcyclohexyl)-6-methyl-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

E021-0331

Molecular Formula

C24H33N3O2S (C24 H33 N3 O2 S)

Compound Name

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

IUPAC name

10-cyclopentyl-N-(23-dimethylcyclohexyl)-11-methyl-9-oxo-5-thia-110-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)37-triene-11-carboxamide

SMILES

CC(CCC1)C(C)C1NC(C(C)(Cn1c2cc3c1ccs3)N(C1CCCC1)C2=O)=O

InChI

InChI=1S/C24H33N3O2S/c1-15-7-6-10-18(16(15)2)25-23(29)24(3)14-26-19-11-12-30-21(19)13-20(26)22(28)27(24)17-8-4-5-9-17/h11-13,15-18H,4-10,14H2,1-3H3,(H,25,29)

InChI Key

ZCGVSAORKMFJKO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.506

Distribution Coefficient, logD

4.506

Water Solubility, LogSw

-4.32

Polar Surface Area

41.733

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

66.67

E021-0331 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Developmental Pathway (Hh/Wnt) Set (2238 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E021-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E021-0331?
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What is the minimum amount of E021-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E021-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E021-0331
  • 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 E021-0331 available by request