E021-0851 Screening compound: 7-{2-[butyl(ethyl)amino]ethyl}-N~6~-cycloheptyl-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E021-0851 Screening compound: 7-{2-[butyl(ethyl)amino]ethyl}-N~6~-cycloheptyl-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E021-0851 Screening compound: 7-{2-[butyl(ethyl)amino]ethyl}-N~6~-cycloheptyl-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 E021-0851
7-{2-[butyl(ethyl)amino]ethyl}-N~6~-cycloheptyl-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

E021-0851

Molecular Formula

C26H40N4O2S (C26 H40 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(CC)CCN(C(C)(Cn1c2cc3c1ccs3)C(NC1CCCCCC1)=O)C2=O

InChI

InChI=1S/C26H40N4O2S/c1-4-6-14-28(5-2)15-16-30-24(31)22-18-23-21(13-17-33-23)29(22)19-26(30,3)25(32)27-20-11-9-7-8-10-12-20/h13,17-18,20H,4-12,14-16,19H2,1-3H3,(H,27,32)/t26-/m0/s1

InChI Key

ZXQHCCHVALDCJX-SANMLTNESA-N

MDL Number (MFCD)

MFCD14840372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.7

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

5.424

Distribution Coefficient, logD

4.748

Water Solubility, LogSw

-5.22

Polar Surface Area

46.001

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

7.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.20

E021-0851 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 E021-0851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E021-0851?
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What is the minimum amount of E021-0851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E021-0851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E021-0851
  • 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 E021-0851 available by request