E222-0050 Screening compound: methyl 5-(furan-2-yl)-1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-pyrrole-2-carboxylate

E222-0050 Screening compound: methyl 5-(furan-2-yl)-1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-pyrrole-2-carboxylate
E222-0050 Screening compound: methyl 5-(furan-2-yl)-1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E222-0050
methyl 5-(furan-2-yl)-1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-pyrrole-2-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

E222-0050

Molecular Formula

C17H20N2O4 (C17 H20 N2 O4)

Compound Name

methyl 5-(furan-2-yl)-1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-pyrrole-2-carboxylate

IUPAC name

methyl 5-(furan-2-yl)-1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-pyrrole-2-carboxylate

SMILES

COC(c1ccc(-c2ccco2)n1CC(N1CCCCC1)=O)=O

InChI

InChI=1S/C17H20N2O4/c1-22-17(21)14-8-7-13(15-6-5-11-23-15)19(14)12-16(20)18-9-3-2-4-10-18/h5-8,11H,2-4,9-10,12H2,1H3

InChI Key

QVFZZNLQQDIRSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14849078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.181

Distribution Coefficient, logD

2.181

Water Solubility, LogSw

-2.30

Polar Surface Area

46.316

Acid Dissociation Constant (pKa)

21.74

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

E222-0050 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E222-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E222-0050?
Check Price and Availability of E222-0050, 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 E222-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E222-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E222-0050
  • 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 E222-0050 available by request