E234-1553 Screening compound: N-cycloheptyl-3-methyl-1-oxo-2-[(pyridin-2-yl)methyl]-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide

E234-1553 Screening compound: N-cycloheptyl-3-methyl-1-oxo-2-[(pyridin-2-yl)methyl]-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide
E234-1553 Screening compound: N-cycloheptyl-3-methyl-1-oxo-2-[(pyridin-2-yl)methyl]-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E234-1553
N-cycloheptyl-3-methyl-1-oxo-2-[(pyridin-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

E234-1553

Molecular Formula

C26H30N4O2 (C26 H30 N4 O2)

Compound Name

N-cycloheptyl-3-methyl-1-oxo-2-[(pyridin-2-yl)methyl]-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide

IUPAC name

N-cycloheptyl-3-methyl-1-oxo-2-[(pyridin-2-yl)methyl]-1H2H3H4H-pyrazino[12-a]indole-3-carboxamide

SMILES

CC(Cn(c1c2)c3c2cccc3)(C(NC2CCCCCC2)=O)N(Cc2ncccc2)C1=O

InChI

InChI=1S/C26H30N4O2/c1-26(25(32)28-20-11-4-2-3-5-12-20)18-29-22-14-7-6-10-19(22)16-23(29)24(31)30(26)17-21-13-8-9-15-27-21/h6-10,13-16,20H,2-5,11-12,17-18H2,1H3,(H,28,32)/t26-/m0/s1

InChI Key

YRNOPGSHHHJDCT-SANMLTNESA-N

MDL Number (MFCD)

MFCD14851068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.511

Distribution Coefficient, logD

4.511

Water Solubility, LogSw

-4.18

Polar Surface Area

50.611

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

3.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

E234-1553 in Drug Discovery

Included in Screening Libraries

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

Cyclic Ugi PPI Library (9586 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with E234-1553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E234-1553?
Check Price and Availability of E234-1553, 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 E234-1553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E234-1553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E234-1553
  • 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 E234-1553 available by request