6705-0233 Screening compound: 3-acetamido-3-(4-ethoxyphenyl)propanoic acid

6705-0233 Screening compound: 3-acetamido-3-(4-ethoxyphenyl)propanoic acid
6705-0233 Screening compound: 3-acetamido-3-(4-ethoxyphenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6705-0233
3-acetamido-3-(4-ethoxyphenyl)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

6705-0233

Molecular Formula

C13H17NO4 (C13 H17 NO4)

Compound Name

3-acetamido-3-(4-ethoxyphenyl)propanoic acid

IUPAC name

3-acetamido-3-(4-ethoxyphenyl)propanoic acid

SMILES

CCOc1ccc(C(CC(O)=O)NC(C)=O)cc1

InChI

InChI=1S/C13H17NO4/c1-3-18-11-6-4-10(5-7-11)12(8-13(16)17)14-9(2)15/h4-7,12H,3,8H2,1-2H3,(H,14,15)(H,16,17)/t12-/m0/s1

InChI Key

OODFNSFRXFOACA-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD01872583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.28

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

1.029

Distribution Coefficient, logD

-1.608

Water Solubility, LogSw

-1.86

Polar Surface Area

59.960

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

6705-0233 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Glucocorticoid receptors Library (4806 compounds)

Integrin Receptors Targeted library (1715 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Others
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6705-0233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6705-0233?
Check Price and Availability of 6705-0233, 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 6705-0233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6705-0233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6705-0233
  • 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 6705-0233 available by request