8016-2865 Screening compound: 3-[4-(2-carboxyethyl)phenyl]propanoic acid

8016-2865 Screening compound: 3-[4-(2-carboxyethyl)phenyl]propanoic acid
8016-2865 Screening compound: 3-[4-(2-carboxyethyl)phenyl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2865
3-[4-(2-carboxyethyl)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

8016-2865

Molecular Formula

C12H14O4 (C12 H14 O4)

Compound Name

3-[4-(2-carboxyethyl)phenyl]propanoic acid

IUPAC name

3-[4-(2-carboxyethyl)phenyl]propanoic acid

SMILES

OC(CCc1ccc(CCC(O)=O)cc1)=O

InChI

InChI=1S/C12H14O4/c13-11(14)7-5-9-1-2-10(4-3-9)6-8-12(15)16/h1-4H,5-8H2,(H,13,14)(H,15,16)

InChI Key

DFOCUWFSRVQSNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00002779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.546

Distribution Coefficient, logD

-1.255

Water Solubility, LogSw

-1.52

Polar Surface Area

57.006

Acid Dissociation Constant (pKa)

4.60

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8016-2865 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Glucocorticoid receptors Library (4806 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:
  • Cardiovascular
  • 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

References: we are preparing a list of scientific research reports with 8016-2865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2865?
Check Price and Availability of 8016-2865, 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 8016-2865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2865
  • 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 8016-2865 available by request