0086-0049 Screening compound: 3-[(2-carboxyethyl)(phenyl)amino]propanoic acid

0086-0049 Screening compound: 3-[(2-carboxyethyl)(phenyl)amino]propanoic acid
0086-0049 Screening compound: 3-[(2-carboxyethyl)(phenyl)amino]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0086-0049
3-[(2-carboxyethyl)(phenyl)amino]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

0086-0049

Molecular Formula

C12H15NO4 (C12 H15 NO4)

Compound Name

3-[(2-carboxyethyl)(phenyl)amino]propanoic acid

IUPAC name

3-[(2-carboxyethyl)(phenyl)amino]propanoic acid

SMILES

OC(CCN(CCC(O)=O)c1ccccc1)=O

InChI

InChI=1S/C12H15NO4/c14-11(15)6-8-13(9-7-12(16)17)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,15)(H,16,17)

InChI Key

DVHDYXZJJHYSPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00168366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.311

Distribution Coefficient, logD

-2.980

Water Solubility, LogSw

-1.22

Polar Surface Area

60.250

Acid Dissociation Constant (pKa)

4.05

Base Dissociation Constant (pKb)

6.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

0086-0049 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Structure:
  • Pool
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0086-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0086-0049?
Check Price and Availability of 0086-0049, 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 0086-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0086-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0086-0049
  • 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 0086-0049 available by request