0133-0069 Screening compound: 1-(2-hydroxyphenyl)-3-phenylpropane-1,3-dione

0133-0069 Screening compound: 1-(2-hydroxyphenyl)-3-phenylpropane-1,3-dione
0133-0069 Screening compound: 1-(2-hydroxyphenyl)-3-phenylpropane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0133-0069
1-(2-hydroxyphenyl)-3-phenylpropane-1,3-dione

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

0133-0069

Molecular Formula

C15H12O3 (C15 H12 O3)

Compound Name

1-(2-hydroxyphenyl)-3-phenylpropane-1,3-dione

IUPAC name

1-(2-hydroxyphenyl)-3-phenylpropane-13-dione

SMILES

Oc(cccc1)c1C(CC(c1ccccc1)=O)=O

InChI

InChI=1S/C15H12O3/c16-13-9-5-4-8-12(13)15(18)10-14(17)11-6-2-1-3-7-11/h1-9,16H,10H2

InChI Key

OABFIJGAEVKMJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00043495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

240.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.859

Distribution Coefficient, logD

2.805

Water Solubility, LogSw

-3.25

Polar Surface Area

43.009

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

0133-0069 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Carbonic Anhydrase II Library (4939 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0133-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0133-0069?
Check Price and Availability of 0133-0069, 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 0133-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0133-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0133-0069
  • 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 0133-0069 available by request