R052-2261 Screening compound: 3-amino-3-[4-(benzyloxy)phenyl]propanoic acid

R052-2261 Screening compound: 3-amino-3-[4-(benzyloxy)phenyl]propanoic acid
R052-2261 Screening compound: 3-amino-3-[4-(benzyloxy)phenyl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-2261
3-amino-3-[4-(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

R052-2261

Molecular Formula

C16H17NO3 (C16 H17 NO3)

Compound Name

3-amino-3-[4-(benzyloxy)phenyl]propanoic acid

IUPAC name

3-amino-3-[4-(benzyloxy)phenyl]propanoic acid

SMILES

NC(CC(O)=O)c(cc1)ccc1OCc1ccccc1

InChI

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

InChI Key

VODMAXQPPKRFPS-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02334719

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

0.611

Distribution Coefficient, logD

0.611

Water Solubility, LogSw

-1.03

Polar Surface Area

56.639

Acid Dissociation Constant (pKa)

3.83

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

R052-2261 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Anti-Inflammatory Library (24602 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

GABA Library (7115 compounds)

Glucocorticoid receptors Library (4806 compounds)

Lipid Metabolism Library (9174 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 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
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Eye
  • 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
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Targets:
  • GPCR
  • Ion Channels
  • Nuclear receptors
  • Phosphatases
  • Phosphatases

References: we are preparing a list of scientific research reports with R052-2261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-2261?
Check Price and Availability of R052-2261, 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 R052-2261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-2261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-2261
  • 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 R052-2261 available by request