5218-2476 Screening compound: 2-(ethylsulfanyl)-3-(2-methylphenyl)-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-4-one

5218-2476 Screening compound: 2-(ethylsulfanyl)-3-(2-methylphenyl)-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-4-one
5218-2476 Screening compound: 2-(ethylsulfanyl)-3-(2-methylphenyl)-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5218-2476
2-(ethylsulfanyl)-3-(2-methylphenyl)-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-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

5218-2476

Molecular Formula

C20H21N3OS (C20 H21 N3 OS)

Compound Name

2-(ethylsulfanyl)-3-(2-methylphenyl)-3H,4H,6H,7H,8H,9H-pyrimido[4,5-b]quinolin-4-one

IUPAC name

2-(ethylsulfanyl)-3-(2-methylphenyl)-3H4H6H7H8H9H-pyrimido[45-b]quinolin-4-one

SMILES

CCSC(N1c2c(C)cccc2)=Nc2nc(CCCC3)c3cc2C1=O

InChI

InChI=1S/C20H21N3OS/c1-3-25-20-22-18-15(12-14-9-5-6-10-16(14)21-18)19(24)23(20)17-11-7-4-8-13(17)2/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3

InChI Key

FXKXUJCVYXYFIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02985185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.768

Distribution Coefficient, logD

4.744

Water Solubility, LogSw

-4.59

Polar Surface Area

35.743

Acid Dissociation Constant (pKa)

22.79

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

5218-2476 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5218-2476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5218-2476?
Check Price and Availability of 5218-2476, 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 5218-2476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5218-2476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5218-2476
  • 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 5218-2476 available by request