E236-0077 Screening compound: 7-(4-chlorophenethyl)-N~6~-cyclooctyl-2-ethyl-8-oxo-6-phenyl-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E236-0077 Screening compound: 7-(4-chlorophenethyl)-N~6~-cyclooctyl-2-ethyl-8-oxo-6-phenyl-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E236-0077 Screening compound: 7-(4-chlorophenethyl)-N~6~-cyclooctyl-2-ethyl-8-oxo-6-phenyl-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 E236-0077
7-(4-chlorophenethyl)-N~6~-cyclooctyl-2-ethyl-8-oxo-6-phenyl-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

E236-0077

Molecular Formula

C34H38ClN3O2S (C34 H38 ClN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCc1cc(n(CC(C(NC2CCCCCCC2)=O)(c2ccccc2)N(CCc(cc2)ccc2Cl)C2=O)c2c2)c2s1

InChI

InChI=1S/C34H38ClN3O2S/c1-2-28-21-29-31(41-28)22-30-32(39)38(20-19-24-15-17-26(35)18-16-24)34(23-37(29)30,25-11-7-6-8-12-25)33(40)36-27-13-9-4-3-5-10-14-27/h6-8,11-12,15-18,21-22,27H,2-5,9-10,13-14,19-20,23H2,1H3,(H,36,40)/t34-/m1/s1

InChI Key

RBWXFRSHQQDUPP-UUWRZZSWSA-N

MDL Number (MFCD)

MFCD14851842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

588.21

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.834

Distribution Coefficient, logD

8.834

Water Solubility, LogSw

-6.30

Polar Surface Area

42.202

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

2.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

E236-0077 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E236-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E236-0077?
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What is the minimum amount of E236-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E236-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E236-0077
  • 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 E236-0077 available by request