E220-0099 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({1,4-dioxo-octahydropyrrolo[1,2-a]pyrazin-2-yl}methyl)benzamide

E220-0099 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({1,4-dioxo-octahydropyrrolo[1,2-a]pyrazin-2-yl}methyl)benzamide
E220-0099 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({1,4-dioxo-octahydropyrrolo[1,2-a]pyrazin-2-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E220-0099
N-[2-(3,4-dimethoxyphenyl)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

E220-0099

Molecular Formula

C25H29N3O5 (C25 H29 N3 O5)

Compound Name

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

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-4-({14-dioxo-octahydropyrrolo[12-a]pyrazin-2-yl}methyl)benzamide

SMILES

COc(ccc(CCNC(c1ccc(CN(CC(N2C3CCC2)=O)C3=O)cc1)=O)c1)c1OC

InChI

InChI=1S/C25H29N3O5/c1-32-21-10-7-17(14-22(21)33-2)11-12-26-24(30)19-8-5-18(6-9-19)15-27-16-23(29)28-13-3-4-20(28)25(27)31/h5-10,14,20H,3-4,11-13,15-16H2,1-2H3,(H,26,30)/t20-/m0/s1

InChI Key

KTQCCOWXLLWTKC-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14848787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.497

Distribution Coefficient, logD

0.497

Water Solubility, LogSw

-2.07

Polar Surface Area

73.185

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with E220-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E220-0099?
Check Price and Availability of E220-0099, 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 E220-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E220-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E220-0099
  • 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 E220-0099 available by request