4972-0592 Screening compound: 2-ACETAMIDO-3-PHENYLPROPANOIC ACID

4972-0592 Screening compound: 2-ACETAMIDO-3-PHENYLPROPANOIC ACID
4972-0592 Screening compound: 2-ACETAMIDO-3-PHENYLPROPANOIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound 4972-0592
2-ACETAMIDO-3-PHENYLPROPANOIC ACID

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

4972-0592

Molecular Formula

C11H13NO3 (C11 H13 NO3)

Compound Name

2-ACETAMIDO-3-PHENYLPROPANOIC ACID

IUPAC name

n/a

SMILES

CC(NC(Cc1ccccc1)C(O)=O)=O

InChI

InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1

InChI Key

CBQJSKKFNMDLON-JTQLQIEISA-N

MDL Number (MFCD)

MFCD00063157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

207.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.185

Distribution Coefficient, logD

-3.776

Water Solubility, LogSw

-1.45

Polar Surface Area

52.861

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.00

4972-0592 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4972-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4972-0592?
Check Price and Availability of 4972-0592, 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 4972-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4972-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4972-0592
  • 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 4972-0592 available by request