K221-1198 Screening compound: 2-sulfanylidene-3-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H-benzo[g]quinazolin-4-one

K221-1198 Screening compound: 2-sulfanylidene-3-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H-benzo[g]quinazolin-4-one
K221-1198 Screening compound: 2-sulfanylidene-3-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H-benzo[g]quinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-1198
2-sulfanylidene-3-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H-benzo[g]quinazolin-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

K221-1198

Molecular Formula

C19H11F3N2OS (C19 H11 F3 N2 OS)

Compound Name

2-sulfanylidene-3-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H-benzo[g]quinazolin-4-one

IUPAC name

2-sulfanylidene-3-[2-(trifluoromethyl)phenyl]-1H2H3H4H-benzo[g]quinazolin-4-one

SMILES

O=C(c1cc2ccccc2cc1N1)N(c2c(C(F)(F)F)cccc2)C1=S

InChI

InChI=1S/C19H11F3N2OS/c20-19(21,22)14-7-3-4-8-16(14)24-17(25)13-9-11-5-1-2-6-12(11)10-15(13)23-18(24)26/h1-10H,(H,23,26)

InChI Key

OIOKUIVSZUXIGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.807

Distribution Coefficient, logD

4.804

Water Solubility, LogSw

-5.67

Polar Surface Area

26.134

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

-8.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

K221-1198 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with K221-1198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-1198?
Check Price and Availability of K221-1198, 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 K221-1198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-1198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-1198
  • 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 K221-1198 available by request