8016-9374 Screening compound: 3-[2-(3,4-dimethoxyphenyl)acetamido]-3-(4-propoxyphenyl)propanoic acid

8016-9374 Screening compound: 3-[2-(3,4-dimethoxyphenyl)acetamido]-3-(4-propoxyphenyl)propanoic acid
8016-9374 Screening compound: 3-[2-(3,4-dimethoxyphenyl)acetamido]-3-(4-propoxyphenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9374
3-[2-(3,4-dimethoxyphenyl)acetamido]-3-(4-propoxyphenyl)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

8016-9374

Molecular Formula

C22H27NO6 (C22 H27 NO6)

Compound Name

3-[2-(3,4-dimethoxyphenyl)acetamido]-3-(4-propoxyphenyl)propanoic acid

IUPAC name

3-[2-(34-dimethoxyphenyl)acetamido]-3-(4-propoxyphenyl)propanoic acid

SMILES

CCCOc1ccc(C(CC(O)=O)NC(Cc(cc2)cc(OC)c2OC)=O)cc1

InChI

InChI=1S/C22H27NO6/c1-4-11-29-17-8-6-16(7-9-17)18(14-22(25)26)23-21(24)13-15-5-10-19(27-2)20(12-15)28-3/h5-10,12,18H,4,11,13-14H2,1-3H3,(H,23,24)(H,25,26)/t18-/m0/s1

InChI Key

CIAGLHMKBXRMMD-SFHVURJKSA-N

MDL Number (MFCD)

MFCD05860414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.795

Distribution Coefficient, logD

0.158

Water Solubility, LogSw

-3.10

Polar Surface Area

75.131

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

8016-9374 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8016-9374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9374?
Check Price and Availability of 8016-9374, 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 8016-9374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9374
  • 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 8016-9374 available by request