1327-0072 Screening compound: 4-(4-chlorophenoxy)-1-(4-methylphenyl)butane-1,3-dione

1327-0072 Screening compound: 4-(4-chlorophenoxy)-1-(4-methylphenyl)butane-1,3-dione
1327-0072 Screening compound: 4-(4-chlorophenoxy)-1-(4-methylphenyl)butane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1327-0072
4-(4-chlorophenoxy)-1-(4-methylphenyl)butane-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

1327-0072

Molecular Formula

C17H15ClO3 (C17 H15 ClO3)

Compound Name

4-(4-chlorophenoxy)-1-(4-methylphenyl)butane-1,3-dione

IUPAC name

4-(4-chlorophenoxy)-1-(4-methylphenyl)butane-13-dione

SMILES

Cc(cc1)ccc1C(CC(COc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C17H15ClO3/c1-12-2-4-13(5-3-12)17(20)10-15(19)11-21-16-8-6-14(18)7-9-16/h2-9H,10-11H2,1H3

InChI Key

LDTHJMYYRITOJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.573

Distribution Coefficient, logD

3.532

Water Solubility, LogSw

-3.78

Polar Surface Area

33.468

Acid Dissociation Constant (pKa)

8.41

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

1327-0072 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Frequent Hitters Library (7624 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro
Structure:
  • Pool
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 1327-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1327-0072?
Check Price and Availability of 1327-0072, 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 1327-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1327-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1327-0072
  • 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 1327-0072 available by request