Y041-8139 Screening compound: 3-[(furan-2-yl)methyl]-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione

Y041-8139 Screening compound: 3-[(furan-2-yl)methyl]-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
Y041-8139 Screening compound: 3-[(furan-2-yl)methyl]-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8139
3-[(furan-2-yl)methyl]-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione

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

Y041-8139

Molecular Formula

C20H22N4O4 (C20 H22 N4 O4)

Compound Name

3-[(furan-2-yl)methyl]-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione

IUPAC name

(5S)-3-[(furan-2-yl)methyl]-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]imidazolidine-24-dione

SMILES

O=C(CC(C(N1Cc2ccco2)=O)NC1=O)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C20H22N4O4/c25-18(23-10-8-22(9-11-23)15-5-2-1-3-6-15)13-17-19(26)24(20(27)21-17)14-16-7-4-12-28-16/h1-7,12,17H,8-11,13-14H2,(H,21,27)/t17-/m1/s1

InChI Key

CYRZAXNRCNKTRJ-QGZVFWFLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.220

Distribution Coefficient, logD

1.220

Water Solubility, LogSw

-2.00

Polar Surface Area

69.066

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

Y041-8139 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y041-8139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8139?
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What is the minimum amount of Y041-8139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8139
  • 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 Y041-8139 available by request