E220-1381 Screening compound: 3-({1,4-dioxo-octahydropyrrolo[1,2-a]pyrazin-2-yl}methyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide

E220-1381 Screening compound: 3-({1,4-dioxo-octahydropyrrolo[1,2-a]pyrazin-2-yl}methyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
E220-1381 Screening compound: 3-({1,4-dioxo-octahydropyrrolo[1,2-a]pyrazin-2-yl}methyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E220-1381
3-({1,4-dioxo-octahydropyrrolo[1,2-a]pyrazin-2-yl}methyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide

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

E220-1381

Molecular Formula

C24H27N3O5 (C24 H27 N3 O5)

Compound Name

3-({1,4-dioxo-octahydropyrrolo[1,2-a]pyrazin-2-yl}methyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide

IUPAC name

3-({14-dioxo-octahydropyrrolo[12-a]pyrazin-2-yl}methyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide

SMILES

COc1ccc(CNC(c(cc2)cc(CN(CC(N3C4CCC3)=O)C4=O)c2OC)=O)cc1

InChI

InChI=1S/C24H27N3O5/c1-31-19-8-5-16(6-9-19)13-25-23(29)17-7-10-21(32-2)18(12-17)14-26-15-22(28)27-11-3-4-20(27)24(26)30/h5-10,12,20H,3-4,11,13-15H2,1-2H3,(H,25,29)/t20-/m0/s1

InChI Key

ILOAOQWDHHCTBW-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14848859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.373

Distribution Coefficient, logD

1.373

Water Solubility, LogSw

-2.27

Polar Surface Area

73.257

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

E220-1381 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E220-1381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E220-1381?
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What is the minimum amount of E220-1381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E220-1381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E220-1381
  • 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 E220-1381 available by request