0828-0235 Screening compound: 1-(4-chlorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione

0828-0235 Screening compound: 1-(4-chlorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione
0828-0235 Screening compound: 1-(4-chlorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0828-0235
1-(4-chlorophenyl)-3-(2-hydroxyphenyl)propane-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

0828-0235

Molecular Formula

C15H11ClO3 (C15 H11 ClO3)

Compound Name

1-(4-chlorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione

IUPAC name

1-(4-chlorophenyl)-3-(2-hydroxyphenyl)propane-13-dione

SMILES

Oc(cccc1)c1C(CC(c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C15H11ClO3/c16-11-7-5-10(6-8-11)14(18)9-15(19)12-3-1-2-4-13(12)17/h1-8,17H,9H2

InChI Key

GSKRVOHVQCUTJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00992564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.7

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

3.559

Distribution Coefficient, logD

3.438

Water Solubility, LogSw

-3.88

Polar Surface Area

43.009

Acid Dissociation Constant (pKa)

7.89

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

0828-0235 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

Carbonic Anhydrase II Library (4939 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0828-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0828-0235?
Check Price and Availability of 0828-0235, 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 0828-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0828-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0828-0235
  • 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 0828-0235 available by request