E236-0066 Screening compound: N~6~-cyclooctyl-7-(3-fluorobenzyl)-8-oxo-6-phenyl-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

E236-0066 Screening compound: N~6~-cyclooctyl-7-(3-fluorobenzyl)-8-oxo-6-phenyl-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
E236-0066 Screening compound: N~6~-cyclooctyl-7-(3-fluorobenzyl)-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 E236-0066
N~6~-cyclooctyl-7-(3-fluorobenzyl)-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

E236-0066

Molecular Formula

C31H32FN3O2S (C31 H32 FN3 O2 S)

Compound Name

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

IUPAC name

N-cyclooctyl-10-[(3-fluorophenyl)methyl]-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(Cc1cc(F)ccc1)C2=O)NC1CCCCCCC1

InChI

InChI=1S/C31H32FN3O2S/c32-24-13-9-10-22(18-24)20-35-29(36)27-19-28-26(16-17-38-28)34(27)21-31(35,23-11-5-4-6-12-23)30(37)33-25-14-7-2-1-3-8-15-25/h4-6,9-13,16-19,25H,1-3,7-8,14-15,20-21H2,(H,33,37)/t31-/m1/s1

InChI Key

UGWUMNNCDNFBBS-WJOKGBTCSA-N

MDL Number (MFCD)

MFCD14851838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.68

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.351

Distribution Coefficient, logD

7.351

Water Solubility, LogSw

-6.07

Polar Surface Area

42.224

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.50

E236-0066 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 E236-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E236-0066?
Check Price and Availability of E236-0066, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E236-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E236-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E236-0066
  • 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 E236-0066 available by request