Y020-7214 Screening compound: ethyl 4-{3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate

Y020-7214 Screening compound: ethyl 4-{3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate
Y020-7214 Screening compound: ethyl 4-{3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7214
ethyl 4-{3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate

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

Y020-7214

Molecular Formula

C19H19N3O6S (C19 H19 N3 O6 S)

Compound Name

ethyl 4-{3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate

IUPAC name

ethyl 4-{3-[(5-ethyl-46-dihydroxypyrimidin-2-yl)sulfanyl]-25-dioxopyrrolidin-1-yl}benzoate

SMILES

CCc(c(O)nc(SC(CC(N1c(cc2)ccc2C(OCC)=O)=O)C1=O)n1)c1O

InChI

InChI=1S/C19H19N3O6S/c1-3-12-15(24)20-19(21-16(12)25)29-13-9-14(23)22(17(13)26)11-7-5-10(6-8-11)18(27)28-4-2/h5-8,13H,3-4,9H2,1-2H3,(H2,20,21,24,25)/t13-/m0/s1

InChI Key

TUEOOKZAGFZVPN-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD05843780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.44

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.002

Distribution Coefficient, logD

1.916

Water Solubility, LogSw

-2.61

Polar Surface Area

101.125

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

Y020-7214 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with Y020-7214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7214?
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What is the minimum amount of Y020-7214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7214
  • 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 Y020-7214 available by request