E234-0787 Screening compound: 6,9-dimethoxy-3-methyl-N-(2-methylcyclohexyl)-1-oxo-2-[(thiophen-2-yl)methyl]-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide

E234-0787 Screening compound: 6,9-dimethoxy-3-methyl-N-(2-methylcyclohexyl)-1-oxo-2-[(thiophen-2-yl)methyl]-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide
E234-0787 Screening compound: 6,9-dimethoxy-3-methyl-N-(2-methylcyclohexyl)-1-oxo-2-[(thiophen-2-yl)methyl]-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E234-0787
6,9-dimethoxy-3-methyl-N-(2-methylcyclohexyl)-1-oxo-2-[(thiophen-2-yl)methyl]-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-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

E234-0787

Molecular Formula

C27H33N3O4S (C27 H33 N3 O4 S)

Compound Name

6,9-dimethoxy-3-methyl-N-(2-methylcyclohexyl)-1-oxo-2-[(thiophen-2-yl)methyl]-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide

IUPAC name

69-dimethoxy-3-methyl-N-(2-methylcyclohexyl)-1-oxo-2-[(thiophen-2-yl)methyl]-1H2H3H4H-pyrazino[12-a]indole-3-carboxamide

SMILES

CC(CCCC1)C1NC(C(C)(Cn(c1c2)c3c2c(OC)ccc3OC)N(Cc2cccs2)C1=O)=O

InChI

InChI=1S/C27H33N3O4S/c1-17-8-5-6-10-20(17)28-26(32)27(2)16-29-21(25(31)30(27)15-18-9-7-13-35-18)14-19-22(33-3)11-12-23(34-4)24(19)29/h7,9,11-14,17,20H,5-6,8,10,15-16H2,1-4H3,(H,28,32)

InChI Key

NWMQCWAWMYINML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14850885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.125

Distribution Coefficient, logD

5.125

Water Solubility, LogSw

-5.07

Polar Surface Area

57.182

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

1.48

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

48.10

E234-0787 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E234-0787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E234-0787?
Check Price and Availability of E234-0787, 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 E234-0787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E234-0787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E234-0787
  • 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 E234-0787 available by request