Y020-6887 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione

Y020-6887 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
Y020-6887 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6887
1-(3-chloro-4-fluorophenyl)-3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]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

Y020-6887

Molecular Formula

C16H13ClFN3O4S (C16 H13 ClFN3 O4 S)

Compound Name

1-(3-chloro-4-fluorophenyl)-3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione

IUPAC name

1-(3-chloro-4-fluorophenyl)-3-[(5-ethyl-46-dihydroxypyrimidin-2-yl)sulfanyl]pyrrolidine-25-dione

SMILES

CCc(c(O)nc(SC(CC(N1c(cc2)cc(Cl)c2F)=O)C1=O)n1)c1O

InChI

InChI=1S/C16H13ClFN3O4S/c1-2-8-13(23)19-16(20-14(8)24)26-11-6-12(22)21(15(11)25)7-3-4-10(18)9(17)5-7/h3-5,11H,2,6H2,1H3,(H2,19,20,23,24)/t11-/m1/s1

InChI Key

JRVKVJAFJRDCBQ-LLVKDONJSA-N

MDL Number (MFCD)

MFCD03904032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.81

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.996

Distribution Coefficient, logD

1.909

Water Solubility, LogSw

-2.75

Polar Surface Area

80.372

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y020-6887 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)

NOTUM (Wnt signaling) Library (3881 compounds)

Antibacterial Compounds Library (13827 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:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y020-6887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6887?
Check Price and Availability of Y020-6887, 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 Y020-6887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6887
  • 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 Y020-6887 available by request