Y020-0877 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-2,5-dione

Y020-0877 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-2,5-dione
Y020-0877 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0877
3-[(4-chlorophenyl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)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

Y020-0877

Molecular Formula

C18H14ClNO4S (C18 H14 ClNO4 S)

Compound Name

3-[(4-chlorophenyl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-2,5-dione

IUPAC name

3-[(4-chlorophenyl)sulfanyl]-1-(23-dihydro-14-benzodioxin-6-yl)pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)Sc(cc2)ccc2Cl)N1c(cc1)cc2c1OCCO2

InChI

InChI=1S/C18H14ClNO4S/c19-11-1-4-13(5-2-11)25-16-10-17(21)20(18(16)22)12-3-6-14-15(9-12)24-8-7-23-14/h1-6,9,16H,7-8,10H2/t16-/m0/s1

InChI Key

SLKJKZLTMZZARV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03904213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.452

Distribution Coefficient, logD

2.452

Water Solubility, LogSw

-3.18

Polar Surface Area

44.981

Acid Dissociation Constant (pKa)

17.07

Base Dissociation Constant (pKb)

-4.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

Y020-0877 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

STING Agonist Library (5895 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y020-0877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0877?
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What is the minimum amount of Y020-0877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0877
  • 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 Y020-0877 available by request