5227-4869 Screening compound: 2-[(3-methylquinoxalin-2-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethan-1-one

5227-4869 Screening compound: 2-[(3-methylquinoxalin-2-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethan-1-one
5227-4869 Screening compound: 2-[(3-methylquinoxalin-2-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5227-4869
2-[(3-methylquinoxalin-2-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethan-1-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

5227-4869

Molecular Formula

C23H17N3OS2 (C23 H17 N3 OS2)

Compound Name

2-[(3-methylquinoxalin-2-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethan-1-one

IUPAC name

2-[(3-methylquinoxalin-2-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethan-1-one

SMILES

Cc1nc2ccccc2nc1SCC(N1c(cccc2)c2Sc2c1cccc2)=O

InChI

InChI=1S/C23H17N3OS2/c1-15-23(25-17-9-3-2-8-16(17)24-15)28-14-22(27)26-18-10-4-6-12-20(18)29-21-13-7-5-11-19(21)26/h2-13H,14H2,1H3

InChI Key

JQCCKOGSWAAJQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04429876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.368

Distribution Coefficient, logD

5.368

Water Solubility, LogSw

-5.38

Polar Surface Area

30.984

Acid Dissociation Constant (pKa)

17.99

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

5227-4869 in Drug Discovery

Included in Screening Libraries

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

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with 5227-4869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5227-4869?
Check Price and Availability of 5227-4869, 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 5227-4869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5227-4869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5227-4869
  • 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 5227-4869 available by request