E021-0222 Screening compound: 7-[2-(diethylamino)ethyl]-6-methyl-N~6~-(4-methylcyclohexyl)-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E021-0222 Screening compound: 7-[2-(diethylamino)ethyl]-6-methyl-N~6~-(4-methylcyclohexyl)-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E021-0222 Screening compound: 7-[2-(diethylamino)ethyl]-6-methyl-N~6~-(4-methylcyclohexyl)-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 E021-0222
7-[2-(diethylamino)ethyl]-6-methyl-N~6~-(4-methylcyclohexyl)-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

E021-0222

Molecular Formula

C24H36N4O2S (C24 H36 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)CCN(C(C)(Cn1c2cc3c1ccs3)C(NC1CCC(C)CC1)=O)C2=O

InChI

InChI=1S/C24H36N4O2S/c1-5-26(6-2)12-13-28-22(29)20-15-21-19(11-14-31-21)27(20)16-24(28,4)23(30)25-18-9-7-17(3)8-10-18/h11,14-15,17-18H,5-10,12-13,16H2,1-4H3,(H,25,30)/t17?,18?,24-/m0/s1

InChI Key

AMGWANNPTOUWBT-XCNDVJPKSA-N

MDL Number (MFCD)

MFCD14840254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.64

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

4.916

Distribution Coefficient, logD

4.217

Water Solubility, LogSw

-4.52

Polar Surface Area

45.417

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

8.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

E021-0222 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E021-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E021-0222?
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What is the minimum amount of E021-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E021-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E021-0222
  • 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 E021-0222 available by request