3331-3286 Screening compound: 2-phenyl-4H-benzo[h]thiochromen-4-one

3331-3286 Screening compound: 2-phenyl-4H-benzo[h]thiochromen-4-one
3331-3286 Screening compound: 2-phenyl-4H-benzo[h]thiochromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3331-3286
2-phenyl-4H-benzo[h]thiochromen-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

3331-3286

Molecular Formula

C19H12OS (C19 H12 OS)

Compound Name

2-phenyl-4H-benzo[h]thiochromen-4-one

IUPAC name

2-phenyl-4H-benzo[h]thiochromen-4-one

SMILES

O=C1c(ccc2ccccc22)c2SC(c2ccccc2)=C1

InChI

InChI=1S/C19H12OS/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H

InChI Key

FIPDWTYFDMUSNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00498498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

4.867

Distribution Coefficient, logD

4.867

Water Solubility, LogSw

-5.94

Polar Surface Area

12.864

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3331-3286 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

STING Agonist Library (5895 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Cancer
  • Immune system
Agro:
  • Agro
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3331-3286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3331-3286?
Check Price and Availability of 3331-3286, 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 3331-3286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3331-3286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3331-3286
  • 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 3331-3286 available by request