E220-0145 Screening compound: N-(4-bromo-3-methylphenyl)-4-({1,4-dioxo-octahydropyrrolo[1,2-a]pyrazin-2-yl}methyl)benzamide

E220-0145 Screening compound: N-(4-bromo-3-methylphenyl)-4-({1,4-dioxo-octahydropyrrolo[1,2-a]pyrazin-2-yl}methyl)benzamide
E220-0145 Screening compound: N-(4-bromo-3-methylphenyl)-4-({1,4-dioxo-octahydropyrrolo[1,2-a]pyrazin-2-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E220-0145
N-(4-bromo-3-methylphenyl)-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

E220-0145

Molecular Formula

C22H22BrN3O3 (C22 H22 BrN3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)NC(c2ccc(CN(CC(N3C4CCC3)=O)C4=O)cc2)=O)c1Br

InChI

InChI=1S/C22H22BrN3O3/c1-14-11-17(8-9-18(14)23)24-21(28)16-6-4-15(5-7-16)12-25-13-20(27)26-10-2-3-19(26)22(25)29/h4-9,11,19H,2-3,10,12-13H2,1H3,(H,24,28)/t19-/m0/s1

InChI Key

LMHITKZPFYNEND-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14848815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.34

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

2.555

Distribution Coefficient, logD

2.552

Water Solubility, LogSw

-2.82

Polar Surface Area

56.760

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

E220-0145 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E220-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E220-0145?
Check Price and Availability of E220-0145, 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 E220-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E220-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E220-0145
  • 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 E220-0145 available by request