Y020-6976 Screening compound: 3-[(4,6-dihydroxy-5-methylpyrimidin-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione

Y020-6976 Screening compound: 3-[(4,6-dihydroxy-5-methylpyrimidin-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione
Y020-6976 Screening compound: 3-[(4,6-dihydroxy-5-methylpyrimidin-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6976
3-[(4,6-dihydroxy-5-methylpyrimidin-2-yl)sulfanyl]-1-phenylpyrrolidine-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

Y020-6976

Molecular Formula

C15H13N3O4S (C15 H13 N3 O4 S)

Compound Name

3-[(4,6-dihydroxy-5-methylpyrimidin-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione

IUPAC name

3-[(46-dihydroxy-5-methylpyrimidin-2-yl)sulfanyl]-1-phenylpyrrolidine-25-dione

SMILES

Cc(c(O)nc(SC(CC(N1c2ccccc2)=O)C1=O)n1)c1O

InChI

InChI=1S/C15H13N3O4S/c1-8-12(20)16-15(17-13(8)21)23-10-7-11(19)18(14(10)22)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H2,16,17,20,21)/t10-/m0/s1

InChI Key

KSPMEJFCYIUDDF-JTQLQIEISA-N

MDL Number (MFCD)

MFCD04191732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.844

Distribution Coefficient, logD

0.769

Water Solubility, LogSw

-1.80

Polar Surface Area

80.372

Acid Dissociation Constant (pKa)

8.12

Base Dissociation Constant (pKb)

-4.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

Y020-6976 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 Y020-6976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6976?
Check Price and Availability of Y020-6976, 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 Y020-6976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6976
  • 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 Y020-6976 available by request