R052-2052 Screening compound: 3-amino-3-[3-(benzyloxy)phenyl]propanoic acid

R052-2052 Screening compound: 3-amino-3-[3-(benzyloxy)phenyl]propanoic acid
R052-2052 Screening compound: 3-amino-3-[3-(benzyloxy)phenyl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-2052
3-amino-3-[3-(benzyloxy)phenyl]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

R052-2052

Molecular Formula

C16H17NO3 (C16 H17 NO3)

Compound Name

3-amino-3-[3-(benzyloxy)phenyl]propanoic acid

IUPAC name

3-amino-3-[3-(benzyloxy)phenyl]propanoic acid

SMILES

NC(CC(O)=O)c1cc(OCc2ccccc2)ccc1

InChI

InChI=1S/C16H17NO3/c17-15(10-16(18)19)13-7-4-8-14(9-13)20-11-12-5-2-1-3-6-12/h1-9,15H,10-11,17H2,(H,18,19)/t15-/m0/s1

InChI Key

WEVLKELFUCFYHL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02653340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.689

Distribution Coefficient, logD

0.689

Water Solubility, LogSw

-1.34

Polar Surface Area

56.639

Acid Dissociation Constant (pKa)

3.83

Base Dissociation Constant (pKb)

10.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

R052-2052 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Eccentric PPI Library (11937 compounds)

Glucocorticoid receptors Library (4806 compounds)

Lipid Metabolism Library (9174 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Immune system
  • Nervous system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Targets:
  • Nuclear receptors
  • Phosphatases

References: we are preparing a list of scientific research reports with R052-2052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-2052?
Check Price and Availability of R052-2052, 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 R052-2052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-2052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-2052
  • 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 R052-2052 available by request