8018-2422 Screening compound: 9,10-dimethoxy-2-[(4-methylphenyl)sulfanyl]-4H,6H,7H-pyrimido[4,3-a]isoquinolin-4-one

8018-2422 Screening compound: 9,10-dimethoxy-2-[(4-methylphenyl)sulfanyl]-4H,6H,7H-pyrimido[4,3-a]isoquinolin-4-one
8018-2422 Screening compound: 9,10-dimethoxy-2-[(4-methylphenyl)sulfanyl]-4H,6H,7H-pyrimido[4,3-a]isoquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2422
9,10-dimethoxy-2-[(4-methylphenyl)sulfanyl]-4H,6H,7H-pyrimido[4,3-a]isoquinolin-4-one

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

8018-2422

Molecular Formula

C21H20N2O3S (C21 H20 N2 O3 S)

Compound Name

9,10-dimethoxy-2-[(4-methylphenyl)sulfanyl]-4H,6H,7H-pyrimido[4,3-a]isoquinolin-4-one

IUPAC name

910-dimethoxy-2-[(4-methylphenyl)sulfanyl]-4H6H7H-pyrimido[43-a]isoquinolin-4-one

SMILES

Cc(cc1)ccc1SC(C=C1N2CCc(cc3OC)c1cc3OC)=NC2=O

InChI

InChI=1S/C21H20N2O3S/c1-13-4-6-15(7-5-13)27-20-12-17-16-11-19(26-3)18(25-2)10-14(16)8-9-23(17)21(24)22-20/h4-7,10-12H,8-9H2,1-3H3

InChI Key

XTZPKELLEYHJMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.629

Distribution Coefficient, logD

4.629

Water Solubility, LogSw

-4.38

Polar Surface Area

40.099

Acid Dissociation Constant (pKa)

22.17

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

8018-2422 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-2422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2422?
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What is the minimum amount of 8018-2422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2422
  • 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 8018-2422 available by request