E777-0050 Screening compound: ethyl 6-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

E777-0050 Screening compound: ethyl 6-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
E777-0050 Screening compound: ethyl 6-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E777-0050
ethyl 6-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

E777-0050

Molecular Formula

C24H28N4O5 (C24 H28 N4 O5)

Compound Name

ethyl 6-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 6-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-4-(4-methylphenyl)-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c1ccc(C)cc1)N1)=C(CN(CC2)CCN2C(c2ccco2)=O)NC1=O)=O

InChI

InChI=1S/C24H28N4O5/c1-3-32-23(30)20-18(25-24(31)26-21(20)17-8-6-16(2)7-9-17)15-27-10-12-28(13-11-27)22(29)19-5-4-14-33-19/h4-9,14,21H,3,10-13,15H2,1-2H3,(H2,25,26,31)/t21-/m1/s1

InChI Key

XMSGRJLMJLIDFP-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14918271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.760

Distribution Coefficient, logD

1.760

Water Solubility, LogSw

-2.24

Polar Surface Area

85.819

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

E777-0050 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E777-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E777-0050?
Check Price and Availability of E777-0050, 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 E777-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E777-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E777-0050
  • 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 E777-0050 available by request