E220-0102 Screening compound: N-[2-(dimethylamino)ethyl]-4-({1,4-dioxo-octahydropyrrolo[1,2-a]pyrazin-2-yl}methyl)benzamide

E220-0102 Screening compound: N-[2-(dimethylamino)ethyl]-4-({1,4-dioxo-octahydropyrrolo[1,2-a]pyrazin-2-yl}methyl)benzamide
E220-0102 Screening compound: N-[2-(dimethylamino)ethyl]-4-({1,4-dioxo-octahydropyrrolo[1,2-a]pyrazin-2-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E220-0102
N-[2-(dimethylamino)ethyl]-4-({1,4-dioxo-octahydropyrrolo[1,2-a]pyrazin-2-yl}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

E220-0102

Molecular Formula

C19H26N4O3 (C19 H26 N4 O3)

Compound Name

N-[2-(dimethylamino)ethyl]-4-({1,4-dioxo-octahydropyrrolo[1,2-a]pyrazin-2-yl}methyl)benzamide

IUPAC name

N-[2-(dimethylamino)ethyl]-4-({14-dioxo-octahydropyrrolo[12-a]pyrazin-2-yl}methyl)benzamide

SMILES

CN(C)CCNC(c1ccc(CN(CC(N2C3CCC2)=O)C3=O)cc1)=O

InChI

InChI=1S/C19H26N4O3/c1-21(2)11-9-20-18(25)15-7-5-14(6-8-15)12-22-13-17(24)23-10-3-4-16(23)19(22)26/h5-8,16H,3-4,9-13H2,1-2H3,(H,20,25)/t16-/m0/s1

InChI Key

QZENPSLJEPHCMV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14848789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.618

Distribution Coefficient, logD

-1.457

Water Solubility, LogSw

-1.67

Polar Surface Area

62.061

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

8.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.60

E220-0102 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

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

CNS MPO Library (28609 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E220-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E220-0102?
Check Price and Availability of E220-0102, 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 E220-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E220-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E220-0102
  • 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 E220-0102 available by request