0133-0055 Screening compound: 1-[4-(dimethylamino)phenyl]-2-phenylethane-1,2-dione

0133-0055 Screening compound: 1-[4-(dimethylamino)phenyl]-2-phenylethane-1,2-dione
0133-0055 Screening compound: 1-[4-(dimethylamino)phenyl]-2-phenylethane-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0133-0055
1-[4-(dimethylamino)phenyl]-2-phenylethane-1,2-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

0133-0055

Molecular Formula

C16H15NO2 (C16 H15 NO2)

Compound Name

1-[4-(dimethylamino)phenyl]-2-phenylethane-1,2-dione

IUPAC name

1-[4-(dimethylamino)phenyl]-2-phenylethane-12-dione

SMILES

CN(C)c(cc1)ccc1C(C(c1ccccc1)=O)=O

InChI

InChI=1S/C16H15NO2/c1-17(2)14-10-8-13(9-11-14)16(19)15(18)12-6-4-3-5-7-12/h3-11H,1-2H3

InChI Key

CRMRQULUOONHLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00032170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.332

Distribution Coefficient, logD

3.332

Water Solubility, LogSw

-3.73

Polar Surface Area

30.249

Acid Dissociation Constant (pKa)

30.86

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0133-0055 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0133-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0133-0055?
Check Price and Availability of 0133-0055, 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 0133-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0133-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0133-0055
  • 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 0133-0055 available by request