R092-0053 Screening compound: 2-acetamido-3-(1H-indol-3-yl)propanoic acid

R092-0053 Screening compound: 2-acetamido-3-(1H-indol-3-yl)propanoic acid
R092-0053 Screening compound: 2-acetamido-3-(1H-indol-3-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R092-0053
2-acetamido-3-(1H-indol-3-yl)propanoic 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

R092-0053

Molecular Formula

C13H14N2O3 (C13 H14 N2 O3)

Compound Name

2-acetamido-3-(1H-indol-3-yl)propanoic acid

IUPAC name

2-acetamido-3-(1H-indol-3-yl)propanoic acid

SMILES

CC(NC(Cc1c[nH]c2c1cccc2)C(O)=O)=O

InChI

InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1

InChI Key

DZTHIGRZJZPRDV-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00005644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

246.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.107

Distribution Coefficient, logD

-3.484

Water Solubility, LogSw

-1.63

Polar Surface Area

62.732

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

R092-0053 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Indole Derivatives (10091 compounds)

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with R092-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R092-0053?
Check Price and Availability of R092-0053, 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 R092-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R092-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R092-0053
  • 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 R092-0053 available by request