Y020-0974 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidine-2,5-dione

Y020-0974 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidine-2,5-dione
Y020-0974 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0974
1-(2H-1,3-benzodioxol-5-yl)-3-[4-(furan-2-carbonyl)piperazin-1-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

Y020-0974

Molecular Formula

C20H19N3O6 (C20 H19 N3 O6)

Compound Name

1-(2H-1,3-benzodioxol-5-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidine-2,5-dione

IUPAC name

1-(2H-13-benzodioxol-5-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidine-25-dione

SMILES

O=C(c1ccco1)N(CC1)CCN1C(CC(N1c(cc2)cc3c2OCO3)=O)C1=O

InChI

InChI=1S/C20H19N3O6/c24-18-11-14(19(25)23(18)13-3-4-15-17(10-13)29-12-28-15)21-5-7-22(8-6-21)20(26)16-2-1-9-27-16/h1-4,9-10,14H,5-8,11-12H2/t14-/m0/s1

InChI Key

VIBTXOKSWZEOQK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD04179032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.386

Distribution Coefficient, logD

0.386

Water Solubility, LogSw

-1.35

Polar Surface Area

74.138

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

Y020-0974 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-0974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0974?
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What is the minimum amount of Y020-0974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0974
  • 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 Y020-0974 available by request