E220-0081 Screening compound: N-(butan-2-yl)-4-({1,4-dioxo-octahydropyrrolo[1,2-a]pyrazin-2-yl}methyl)benzamide

E220-0081 Screening compound: N-(butan-2-yl)-4-({1,4-dioxo-octahydropyrrolo[1,2-a]pyrazin-2-yl}methyl)benzamide
E220-0081 Screening compound: N-(butan-2-yl)-4-({1,4-dioxo-octahydropyrrolo[1,2-a]pyrazin-2-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E220-0081
N-(butan-2-yl)-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

E220-0081

Molecular Formula

C19H25N3O3 (C19 H25 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)NC(c1ccc(CN(CC(N2C3CCC2)=O)C3=O)cc1)=O

InChI

InChI=1S/C19H25N3O3/c1-3-13(2)20-18(24)15-8-6-14(7-9-15)11-21-12-17(23)22-10-4-5-16(22)19(21)25/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,20,24)

InChI Key

VKMXRCJJOCVKIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14848778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.326

Distribution Coefficient, logD

0.326

Water Solubility, LogSw

-1.85

Polar Surface Area

57.795

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.60

E220-0081 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E220-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E220-0081?
Check Price and Availability of E220-0081, 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 E220-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E220-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E220-0081
  • 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 E220-0081 available by request