E522-0063 Screening compound: 2-benzyl-7-methoxy-3-methyl-1-oxo-N-[(oxolan-2-yl)methyl]-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide

E522-0063 Screening compound: 2-benzyl-7-methoxy-3-methyl-1-oxo-N-[(oxolan-2-yl)methyl]-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide
E522-0063 Screening compound: 2-benzyl-7-methoxy-3-methyl-1-oxo-N-[(oxolan-2-yl)methyl]-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E522-0063
2-benzyl-7-methoxy-3-methyl-1-oxo-N-[(oxolan-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

E522-0063

Molecular Formula

C26H29N3O4 (C26 H29 N3 O4)

Compound Name

2-benzyl-7-methoxy-3-methyl-1-oxo-N-[(oxolan-2-yl)methyl]-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide

IUPAC name

2-benzyl-7-methoxy-3-methyl-1-oxo-N-[(oxolan-2-yl)methyl]-1H2H3H4H-pyrazino[12-a]indole-3-carboxamide

SMILES

CC(Cn(c1c2)c3c2ccc(OC)c3)(C(NCC2OCCC2)=O)N(Cc2ccccc2)C1=O

InChI

InChI=1S/C26H29N3O4/c1-26(25(31)27-15-21-9-6-12-33-21)17-28-22-14-20(32-2)11-10-19(22)13-23(28)24(30)29(26)16-18-7-4-3-5-8-18/h3-5,7-8,10-11,13-14,21H,6,9,12,15-17H2,1-2H3,(H,27,31)

InChI Key

GMTBJHLZBONUKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27599722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.53

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

3.568

Distribution Coefficient, logD

3.568

Water Solubility, LogSw

-3.80

Polar Surface Area

57.210

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.50

E522-0063 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with E522-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E522-0063?
Check Price and Availability of E522-0063, 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 E522-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E522-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E522-0063
  • 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 E522-0063 available by request