Y020-0160 Screening compound: 1-(4-ethoxyphenyl)-3-(pyrimidin-2-ylsulfanyl)pyrrolidine-2,5-dione

Y020-0160 Screening compound: 1-(4-ethoxyphenyl)-3-(pyrimidin-2-ylsulfanyl)pyrrolidine-2,5-dione
Y020-0160 Screening compound: 1-(4-ethoxyphenyl)-3-(pyrimidin-2-ylsulfanyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0160
1-(4-ethoxyphenyl)-3-(pyrimidin-2-ylsulfanyl)pyrrolidine-2,5-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

Y020-0160

Molecular Formula

C16H15N3O3S (C16 H15 N3 O3 S)

Compound Name

1-(4-ethoxyphenyl)-3-(pyrimidin-2-ylsulfanyl)pyrrolidine-2,5-dione

IUPAC name

1-(4-ethoxyphenyl)-3-(pyrimidin-2-ylsulfanyl)pyrrolidine-25-dione

SMILES

CCOc(cc1)ccc1N(C(CC1Sc2ncccn2)=O)C1=O

InChI

InChI=1S/C16H15N3O3S/c1-2-22-12-6-4-11(5-7-12)19-14(20)10-13(15(19)21)23-16-17-8-3-9-18-16/h3-9,13H,2,10H2,1H3/t13-/m0/s1

InChI Key

JKRHYAAWAHXBDG-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD01993996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.391

Distribution Coefficient, logD

1.390

Water Solubility, LogSw

-2.28

Polar Surface Area

54.439

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y020-0160 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 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

References: we are preparing a list of scientific research reports with Y020-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0160?
Check Price and Availability of Y020-0160, 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 Y020-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0160
  • 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 Y020-0160 available by request