L863-2016 Screening compound: 2-(ethylsulfanyl)-4-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-6-phenyl-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione

L863-2016 Screening compound: 2-(ethylsulfanyl)-4-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-6-phenyl-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione
L863-2016 Screening compound: 2-(ethylsulfanyl)-4-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-6-phenyl-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L863-2016
2-(ethylsulfanyl)-4-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-6-phenyl-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-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

L863-2016

Molecular Formula

C24H22N4O3S2 (C24 H22 N4 O3 S2)

Compound Name

2-(ethylsulfanyl)-4-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-6-phenyl-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione

IUPAC name

2-(ethylsulfanyl)-4-[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]-6-phenyl-4H5H6H7H-[13]thiazolo[45-d]pyrimidine-57-dione

SMILES

CCSc1nc(N(CC(N(CCC2)c3c2cccc3)=O)C(N(c2ccccc2)C2=O)=O)c2s1

InChI

InChI=1S/C24H22N4O3S2/c1-2-32-23-25-21-20(33-23)22(30)28(17-11-4-3-5-12-17)24(31)27(21)15-19(29)26-14-8-10-16-9-6-7-13-18(16)26/h3-7,9,11-13H,2,8,10,14-15H2,1H3

InChI Key

BCLLGLUKGUNIEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27482297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.327

Distribution Coefficient, logD

4.327

Water Solubility, LogSw

-4.18

Polar Surface Area

56.362

Acid Dissociation Constant (pKa)

18.77

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

L863-2016 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L863-2016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L863-2016?
Check Price and Availability of L863-2016, 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 L863-2016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L863-2016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L863-2016
  • 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 L863-2016 available by request