1246-0861 Screening compound: 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3H-benzo[f]chromen-3-one

1246-0861 Screening compound: 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3H-benzo[f]chromen-3-one
1246-0861 Screening compound: 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3H-benzo[f]chromen-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1246-0861
2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3H-benzo[f]chromen-3-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

1246-0861

Molecular Formula

C23H15NO2S (C23 H15 NO2 S)

Compound Name

2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3H-benzo[f]chromen-3-one

IUPAC name

2-[4-(4-methylphenyl)-13-thiazol-2-yl]-3H-benzo[f]chromen-3-one

SMILES

Cc(cc1)ccc1-c1csc(C2=Cc(c3ccccc3cc3)c3OC2=O)n1

InChI

InChI=1S/C23H15NO2S/c1-14-6-8-16(9-7-14)20-13-27-22(24-20)19-12-18-17-5-3-2-4-15(17)10-11-21(18)26-23(19)25/h2-13H,1H3

InChI Key

NJWANLBZMPREJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00354945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.344

Distribution Coefficient, logD

6.344

Water Solubility, LogSw

-6.79

Polar Surface Area

30.351

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

-4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

1246-0861 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1246-0861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1246-0861?
Check Price and Availability of 1246-0861, 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 1246-0861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1246-0861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1246-0861
  • 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 1246-0861 available by request