8014-8867 Screening compound: ethyl 4-[3-(morpholin-4-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate

8014-8867 Screening compound: ethyl 4-[3-(morpholin-4-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate
8014-8867 Screening compound: ethyl 4-[3-(morpholin-4-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8867
ethyl 4-[3-(morpholin-4-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate

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

8014-8867

Molecular Formula

C17H18N2O5 (C17 H18 N2 O5)

Compound Name

ethyl 4-[3-(morpholin-4-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate

IUPAC name

ethyl 4-[3-(morpholin-4-yl)-25-dioxo-25-dihydro-1H-pyrrol-1-yl]benzoate

SMILES

CCOC(c(cc1)ccc1N(C(C=C1N2CCOCC2)=O)C1=O)=O

InChI

InChI=1S/C17H18N2O5/c1-2-24-17(22)12-3-5-13(6-4-12)19-15(20)11-14(16(19)21)18-7-9-23-10-8-18/h3-6,11H,2,7-10H2,1H3

InChI Key

XNEKZRCVQKJTDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03820667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.203

Distribution Coefficient, logD

1.203

Water Solubility, LogSw

-1.98

Polar Surface Area

61.271

Acid Dissociation Constant (pKa)

29.10

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

8014-8867 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Nucleoside Mimetics Library (2197 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8014-8867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8867?
Check Price and Availability of 8014-8867, 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 8014-8867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8867
  • 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 8014-8867 available by request