E220-0116 Screening compound: N-(4-bromo-2-fluorophenyl)-4-({1,4-dioxo-octahydropyrrolo[1,2-a]pyrazin-2-yl}methyl)benzamide

E220-0116 Screening compound: N-(4-bromo-2-fluorophenyl)-4-({1,4-dioxo-octahydropyrrolo[1,2-a]pyrazin-2-yl}methyl)benzamide
E220-0116 Screening compound: N-(4-bromo-2-fluorophenyl)-4-({1,4-dioxo-octahydropyrrolo[1,2-a]pyrazin-2-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E220-0116
N-(4-bromo-2-fluorophenyl)-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

E220-0116

Molecular Formula

C21H19BrFN3O3 (C21 H19 BrFN3 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(CN(CC(N2C3CCC2)=O)C3=O)cc1)Nc(ccc(Br)c1)c1F

InChI

InChI=1S/C21H19BrFN3O3/c22-15-7-8-17(16(23)10-15)24-20(28)14-5-3-13(4-6-14)11-25-12-19(27)26-9-1-2-18(26)21(25)29/h3-8,10,18H,1-2,9,11-12H2,(H,24,28)/t18-/m0/s1

InChI Key

ZJFMRNDUZHECAN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14848798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.259

Distribution Coefficient, logD

1.972

Water Solubility, LogSw

-2.90

Polar Surface Area

56.062

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

-3.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

E220-0116 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E220-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E220-0116?
Check Price and Availability of E220-0116, 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 E220-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E220-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E220-0116
  • 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 E220-0116 available by request