Y020-5899 Screening compound: 1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolan-5-yliden)-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-8(2H)-yl acetate

Y020-5899 Screening compound: 1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolan-5-yliden)-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-8(2H)-yl acetate
Y020-5899 Screening compound: 1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolan-5-yliden)-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-8(2H)-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5899
1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolan-5-yliden)-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-8(2H)-yl acetate

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

Y020-5899

Molecular Formula

C21H20N2O4S2 (C21 H20 N2 O4 S2)

Compound Name

1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolan-5-yliden)-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-8(2H)-yl acetate

IUPAC name

3-[(5Z)-3-ethyl-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]-91111-trimethyl-2-oxo-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)9-tetraen-6-yl acetate

SMILES

CCN(C(/C(/S1)=C(\c2c3N4C(C)(C)C=C(C)c3cc(OC(C)=O)c2)/C4=O)=O)C1=S

InChI

InChI=1S/C21H20N2O4S2/c1-6-22-19(26)17(29-20(22)28)15-14-8-12(27-11(3)24)7-13-10(2)9-21(4,5)23(16(13)14)18(15)25/h7-9H,6H2,1-5H3

InChI Key

UFSBPFYLPJFULA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03941342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.347

Distribution Coefficient, logD

3.347

Water Solubility, LogSw

-3.88

Polar Surface Area

53.644

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Y020-5899 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y020-5899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5899?
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What is the minimum amount of Y020-5899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5899
  • 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 Y020-5899 available by request