E850-0432 Screening compound: 2-benzyl-N-cycloheptyl-1-oxo-3-phenyl-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide

E850-0432 Screening compound: 2-benzyl-N-cycloheptyl-1-oxo-3-phenyl-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide
E850-0432 Screening compound: 2-benzyl-N-cycloheptyl-1-oxo-3-phenyl-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E850-0432
2-benzyl-N-cycloheptyl-1-oxo-3-phenyl-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

E850-0432

Molecular Formula

C32H33N3O2 (C32 H33 N3 O2)

Compound Name

2-benzyl-N-cycloheptyl-1-oxo-3-phenyl-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide

IUPAC name

2-benzyl-N-cycloheptyl-1-oxo-3-phenyl-1H2H3H4H-pyrazino[12-a]indole-3-carboxamide

SMILES

O=C(C(Cn(c1c2)c3c2cccc3)(c2ccccc2)N(Cc2ccccc2)C1=O)NC1CCCCCC1

InChI

InChI=1S/C32H33N3O2/c36-30-29-21-25-15-11-12-20-28(25)34(29)23-32(26-16-7-4-8-17-26,35(30)22-24-13-5-3-6-14-24)31(37)33-27-18-9-1-2-10-19-27/h3-8,11-17,20-21,27H,1-2,9-10,18-19,22-23H2,(H,33,37)/t32-/m1/s1

InChI Key

XUGYVTVFYRJMGF-JGCGQSQUSA-N

MDL Number (MFCD)

MFCD14921667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.63

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

7.041

Distribution Coefficient, logD

7.041

Water Solubility, LogSw

-6.75

Polar Surface Area

41.206

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

E850-0432 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 E850-0432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E850-0432?
Check Price and Availability of E850-0432, 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 E850-0432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E850-0432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E850-0432
  • 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 E850-0432 available by request