E021-1226 Screening compound: N~6~-cyclohexyl-7-{2-[cyclohexyl(methyl)amino]ethyl}-2-ethyl-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E021-1226 Screening compound: N~6~-cyclohexyl-7-{2-[cyclohexyl(methyl)amino]ethyl}-2-ethyl-6-methyl-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E021-1226 Screening compound: N~6~-cyclohexyl-7-{2-[cyclohexyl(methyl)amino]ethyl}-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 E021-1226
N~6~-cyclohexyl-7-{2-[cyclohexyl(methyl)amino]ethyl}-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

E021-1226

Molecular Formula

C28H42N4O2S (C28 H42 N4 O2 S)

Compound Name

N~6~-cyclohexyl-7-{2-[cyclohexyl(methyl)amino]ethyl}-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-cyclohexyl-10-{2-[cyclohexyl(methyl)amino]ethyl}-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(NC2CCCCC2)=O)N(CCN(C)C2CCCCC2)C2=O)c2c2)c2s1

InChI

InChI=1S/C28H42N4O2S/c1-4-22-17-23-25(35-22)18-24-26(33)32(16-15-30(3)21-13-9-6-10-14-21)28(2,19-31(23)24)27(34)29-20-11-7-5-8-12-20/h17-18,20-21H,4-16,19H2,1-3H3,(H,29,34)/t28-/m0/s1

InChI Key

UIJKTELPEHVNNU-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD14840455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.73

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.809

Distribution Coefficient, logD

5.260

Water Solubility, LogSw

-5.17

Polar Surface Area

44.771

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

7.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.40

E021-1226 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Autophagy-Targeted Library (4564 compounds)

Cyclic Ugi PPI Library (9586 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with E021-1226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E021-1226?
Check Price and Availability of E021-1226, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E021-1226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E021-1226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E021-1226
  • 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 E021-1226 available by request