E021-0256 Screening compound: 7-{2-[cyclohexyl(methyl)amino]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

E021-0256 Screening compound: 7-{2-[cyclohexyl(methyl)amino]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
E021-0256 Screening compound: 7-{2-[cyclohexyl(methyl)amino]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 E021-0256
7-{2-[cyclohexyl(methyl)amino]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

E021-0256

Molecular Formula

C27H40N4O2S (C27 H40 N4 O2 S)

Compound Name

7-{2-[cyclohexyl(methyl)amino]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-[cyclohexyl(methyl)amino]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

CC(CC1)CCC1NC(C(C)(Cn1c2cc3c1ccs3)N(CCN(C)C1CCCCC1)C2=O)=O

InChI

InChI=1S/C27H40N4O2S/c1-19-9-11-20(12-10-19)28-26(33)27(2)18-30-22-13-16-34-24(22)17-23(30)25(32)31(27)15-14-29(3)21-7-5-4-6-8-21/h13,16-17,19-21H,4-12,14-15,18H2,1-3H3,(H,28,33)/t19?,20?,27-/m0/s1

InChI Key

UYOHYYXUXABTDA-IRQSHYTFSA-N

MDL Number (MFCD)

MFCD27597463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.71

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.706

Distribution Coefficient, logD

5.157

Water Solubility, LogSw

-5.19

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

70.40

E021-0256 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E021-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E021-0256?
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What is the minimum amount of E021-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E021-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E021-0256
  • 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 E021-0256 available by request