E236-0147 Screening compound: 7-(2-chlorobenzyl)-N~6~-cyclohexyl-2-ethyl-8-oxo-6-phenyl-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E236-0147 Screening compound: 7-(2-chlorobenzyl)-N~6~-cyclohexyl-2-ethyl-8-oxo-6-phenyl-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E236-0147 Screening compound: 7-(2-chlorobenzyl)-N~6~-cyclohexyl-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 E236-0147
7-(2-chlorobenzyl)-N~6~-cyclohexyl-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

E236-0147

Molecular Formula

C31H32ClN3O2S (C31 H32 ClN3 O2 S)

Compound Name

7-(2-chlorobenzyl)-N~6~-cyclohexyl-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-chlorophenyl)methyl]-N-cyclohexyl-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(NC2CCCCC2)=O)(c2ccccc2)N(Cc(cccc2)c2Cl)C2=O)c2c2)c2s1

InChI

InChI=1S/C31H32ClN3O2S/c1-2-24-17-26-28(38-24)18-27-29(36)35(19-21-11-9-10-16-25(21)32)31(20-34(26)27,22-12-5-3-6-13-22)30(37)33-23-14-7-4-8-15-23/h3,5-6,9-13,16-18,23H,2,4,7-8,14-15,19-20H2,1H3,(H,33,37)/t31-/m1/s1

InChI Key

CFLHMFMKNOKWGP-WJOKGBTCSA-N

MDL Number (MFCD)

MFCD14851866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.13

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

7.632

Distribution Coefficient, logD

7.632

Water Solubility, LogSw

-6.33

Polar Surface Area

41.893

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.50

E236-0147 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 E236-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E236-0147?
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What is the minimum amount of E236-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E236-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E236-0147
  • 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 E236-0147 available by request