Y020-0544 Screening compound: 9-biphenyl-4-yl-3,7,7-trimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione

Y020-0544 Screening compound: 9-biphenyl-4-yl-3,7,7-trimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione
Y020-0544 Screening compound: 9-biphenyl-4-yl-3,7,7-trimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0544
9-biphenyl-4-yl-3,7,7-trimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-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

Y020-0544

Molecular Formula

C27H20N2O2S2 (C27 H20 N2 O2 S2)

Compound Name

9-biphenyl-4-yl-3,7,7-trimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione

IUPAC name

4-{[11'-biphenyl]-4-yl}-7712-trimethyl-3-sulfanylidene-5-thia-48-diazatetracyclo[6.6.1.0^{26}.0^{1115}]pentadeca-1(15)2(6)1113-tetraene-910-dione

SMILES

CC(C)(C(SN(C1=S)c(cc2)ccc2-c2ccccc2)=C1c1c2c(C3=O)c(C)cc1)N2C3=O

InChI

InChI=1S/C27H20N2O2S2/c1-15-9-14-19-21-24(27(2,3)28-22(19)20(15)23(30)25(28)31)33-29(26(21)32)18-12-10-17(11-13-18)16-7-5-4-6-8-16/h4-14H,1-3H3

InChI Key

NENZGAMMGVOTRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03941344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.983

Distribution Coefficient, logD

5.982

Water Solubility, LogSw

-5.75

Polar Surface Area

32.502

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with Y020-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0544?
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What is the minimum amount of Y020-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0544
  • 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 Y020-0544 available by request