E021-0926 Screening compound: N~6~-cycloheptyl-7-[3-(diethylamino)propyl]-2-ethyl-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E021-0926 Screening compound: N~6~-cycloheptyl-7-[3-(diethylamino)propyl]-2-ethyl-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E021-0926 Screening compound: N~6~-cycloheptyl-7-[3-(diethylamino)propyl]-2-ethyl-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 E021-0926
N~6~-cycloheptyl-7-[3-(diethylamino)propyl]-2-ethyl-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

E021-0926

Molecular Formula

C27H42N4O2S (C27 H42 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCc1cc(n(CC(C)(C(NC2CCCCCC2)=O)N(CCCN(CC)CC)C2=O)c2c2)c2s1

InChI

InChI=1S/C27H42N4O2S/c1-5-21-17-22-24(34-21)18-23-25(32)31(16-12-15-29(6-2)7-3)27(4,19-30(22)23)26(33)28-20-13-10-8-9-11-14-20/h17-18,20H,5-16,19H2,1-4H3,(H,28,33)/t27-/m0/s1

InChI Key

HYQFNNMGULMPGO-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14840402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.72

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.722

Distribution Coefficient, logD

3.328

Water Solubility, LogSw

-5.14

Polar Surface Area

45.748

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

9.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.40

E021-0926 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Autophagy-Targeted Library (4564 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E021-0926 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E021-0926?
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What is the minimum amount of E021-0926 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E021-0926
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E021-0926
  • 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 E021-0926 available by request