E524-0181 Screening compound: N~1~-[4-(aminosulfonyl)phenethyl]-2-[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]acetamide

E524-0181 Screening compound: N~1~-[4-(aminosulfonyl)phenethyl]-2-[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]acetamide
E524-0181 Screening compound: N~1~-[4-(aminosulfonyl)phenethyl]-2-[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E524-0181
N~1~-[4-(aminosulfonyl)phenethyl]-2-[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]acetamide

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

E524-0181

Molecular Formula

C20H19N5O4S (C20 H19 N5 O4 S)

Compound Name

N~1~-[4-(aminosulfonyl)phenethyl]-2-[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]acetamide

IUPAC name

2-{7-oxo-2810-triazatricyclo[7.4.0.0^{26}]trideca-1(13)35911-pentaen-8-yl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

SMILES

NS(c1ccc(CCNC(CN(C2=O)c3ncccc3-n3c2ccc3)=O)cc1)(=O)=O

InChI

InChI=1S/C20H19N5O4S/c21-30(28,29)15-7-5-14(6-8-15)9-11-22-18(26)13-25-19-16(3-1-10-23-19)24-12-2-4-17(24)20(25)27/h1-8,10,12H,9,11,13H2,(H,22,26)(H2,21,28,29)

InChI Key

ZNUWOFWQOXVKQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14894748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.440

Distribution Coefficient, logD

0.439

Water Solubility, LogSw

-2.30

Polar Surface Area

102.213

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

E524-0181 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E524-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E524-0181?
Check Price and Availability of E524-0181, 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 E524-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E524-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E524-0181
  • 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 E524-0181 available by request