8014-2037 Screening compound: 3-(4-ethoxyphenyl)-3-(2-phenylbutanamido)propanoic acid

8014-2037 Screening compound: 3-(4-ethoxyphenyl)-3-(2-phenylbutanamido)propanoic acid
8014-2037 Screening compound: 3-(4-ethoxyphenyl)-3-(2-phenylbutanamido)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2037
3-(4-ethoxyphenyl)-3-(2-phenylbutanamido)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

8014-2037

Molecular Formula

C21H25NO4 (C21 H25 NO4)

Compound Name

3-(4-ethoxyphenyl)-3-(2-phenylbutanamido)propanoic acid

IUPAC name

3-(4-ethoxyphenyl)-3-(2-phenylbutanamido)propanoic acid

SMILES

CCC(C(NC(CC(O)=O)c(cc1)ccc1OCC)=O)c1ccccc1

InChI

InChI=1S/C21H25NO4/c1-3-18(15-8-6-5-7-9-15)21(25)22-19(14-20(23)24)16-10-12-17(13-11-16)26-4-2/h5-13,18-19H,3-4,14H2,1-2H3,(H,22,25)(H,23,24)

InChI Key

SQHAZDASRNOZBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.610

Distribution Coefficient, logD

0.972

Water Solubility, LogSw

-3.49

Polar Surface Area

59.790

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

8014-2037 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Glucocorticoid receptors Library (4806 compounds)

Integrin Receptors Targeted library (1715 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8014-2037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2037?
Check Price and Availability of 8014-2037, 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 8014-2037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2037
  • 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 8014-2037 available by request