0104-0055 Screening compound: 3-(4-aminophenyl)-N-(4-chlorophenyl)-3-oxopropanamide

0104-0055 Screening compound: 3-(4-aminophenyl)-N-(4-chlorophenyl)-3-oxopropanamide
0104-0055 Screening compound: 3-(4-aminophenyl)-N-(4-chlorophenyl)-3-oxopropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0104-0055
3-(4-aminophenyl)-N-(4-chlorophenyl)-3-oxopropanamide

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

0104-0055

Molecular Formula

C15H13ClN2O2 (C15 H13 ClN2 O2)

Compound Name

3-(4-aminophenyl)-N-(4-chlorophenyl)-3-oxopropanamide

IUPAC name

3-(4-aminophenyl)-N-(4-chlorophenyl)-3-oxopropanamide

SMILES

Nc(cc1)ccc1C(CC(Nc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C15H13ClN2O2/c16-11-3-7-13(8-4-11)18-15(20)9-14(19)10-1-5-12(17)6-2-10/h1-8H,9,17H2,(H,18,20)

InChI Key

BPTYXGJYTJBUCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00982177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.73

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.929

Distribution Coefficient, logD

1.925

Water Solubility, LogSw

-2.80

Polar Surface Area

57.169

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

7.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

0104-0055 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0104-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0104-0055?
Check Price and Availability of 0104-0055, 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 0104-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0104-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0104-0055
  • 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 0104-0055 available by request