R052-1813 Screening compound: 3-amino-3-(4-fluorophenyl)propanoic acid

R052-1813 Screening compound: 3-amino-3-(4-fluorophenyl)propanoic acid
R052-1813 Screening compound: 3-amino-3-(4-fluorophenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-1813
3-amino-3-(4-fluorophenyl)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

R052-1813

Molecular Formula

C9H10FNO2 (C9 H10 FNO2)

Compound Name

3-amino-3-(4-fluorophenyl)propanoic acid

IUPAC name

3-amino-3-(4-fluorophenyl)propanoic acid

SMILES

NC(CC(O)=O)c(cc1)ccc1F

InChI

InChI=1S/C9H10FNO2/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1

InChI Key

CPGFMWPQXUXQRX-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD00181811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

183.18

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

-0.774

Distribution Coefficient, logD

-0.774

Water Solubility, LogSw

-1.12

Polar Surface Area

49.411

Acid Dissociation Constant (pKa)

3.83

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

R052-1813 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Structure:
  • Pool
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with R052-1813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-1813?
Check Price and Availability of R052-1813, 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 R052-1813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-1813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-1813
  • 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 R052-1813 available by request