Y020-5555 Screening compound: 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 4-methyl-1-benzenesulfonate

Y020-5555 Screening compound: 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 4-methyl-1-benzenesulfonate
Y020-5555 Screening compound: 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 4-methyl-1-benzenesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5555
4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 4-methyl-1-benzenesulfonate

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

Y020-5555

Molecular Formula

C21H19NO5S (C21 H19 NO5 S)

Compound Name

4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 4-methyl-1-benzenesulfonate

IUPAC name

91111-trimethyl-23-dioxo-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)9-tetraen-6-yl 4-methylbenzene-1-sulfonate

SMILES

CC(C)(C=C(C)c1c2c(C3=O)cc(OS(c4ccc(C)cc4)(=O)=O)c1)N2C3=O

InChI

InChI=1S/C21H19NO5S/c1-12-5-7-15(8-6-12)28(25,26)27-14-9-16-13(2)11-21(3,4)22-18(16)17(10-14)19(23)20(22)24/h5-11H,1-4H3

InChI Key

DSQQOMFREMMIBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03289102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.923

Distribution Coefficient, logD

3.923

Water Solubility, LogSw

-4.06

Polar Surface Area

65.601

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

Y020-5555 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y020-5555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5555?
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What is the minimum amount of Y020-5555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5555
  • 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 Y020-5555 available by request