E236-0059 Screening compound: 7-(4-chlorophenethyl)-N~6~-cyclooctyl-8-oxo-6-phenyl-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E236-0059 Screening compound: 7-(4-chlorophenethyl)-N~6~-cyclooctyl-8-oxo-6-phenyl-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E236-0059 Screening compound: 7-(4-chlorophenethyl)-N~6~-cyclooctyl-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 E236-0059
7-(4-chlorophenethyl)-N~6~-cyclooctyl-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

E236-0059

Molecular Formula

C32H34ClN3O2S (C32 H34 ClN3 O2 S)

Compound Name

7-(4-chlorophenethyl)-N~6~-cyclooctyl-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-9-oxo-11-phenyl-5-thia-110-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)37-triene-11-carboxamide

SMILES

O=C(C(Cn1c2cc3c1ccs3)(c1ccccc1)N(CCc(cc1)ccc1Cl)C2=O)NC1CCCCCCC1

InChI

InChI=1S/C32H34ClN3O2S/c33-25-15-13-23(14-16-25)17-19-36-30(37)28-21-29-27(18-20-39-29)35(28)22-32(36,24-9-5-4-6-10-24)31(38)34-26-11-7-2-1-3-8-12-26/h4-6,9-10,13-16,18,20-21,26H,1-3,7-8,11-12,17,19,22H2,(H,34,38)/t32-/m1/s1

InChI Key

OYNQDGTYMHAZGS-JGCGQSQUSA-N

MDL Number (MFCD)

MFCD14851835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.16

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.923

Distribution Coefficient, logD

7.923

Water Solubility, LogSw

-6.61

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

37.50

E236-0059 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 E236-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E236-0059?
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What is the minimum amount of E236-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E236-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E236-0059
  • 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 E236-0059 available by request