5847-1614 Screening compound: 2-[2-(4-ethylphenoxy)acetamido]-3-(1H-indol-3-yl)propanoic acid

5847-1614 Screening compound: 2-[2-(4-ethylphenoxy)acetamido]-3-(1H-indol-3-yl)propanoic acid
5847-1614 Screening compound: 2-[2-(4-ethylphenoxy)acetamido]-3-(1H-indol-3-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5847-1614
2-[2-(4-ethylphenoxy)acetamido]-3-(1H-indol-3-yl)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

5847-1614

Molecular Formula

C21H22N2O4 (C21 H22 N2 O4)

Compound Name

2-[2-(4-ethylphenoxy)acetamido]-3-(1H-indol-3-yl)propanoic acid

IUPAC name

2-[2-(4-ethylphenoxy)acetamido]-3-(1H-indol-3-yl)propanoic acid

SMILES

CCc(cc1)ccc1OCC(NC(Cc1c[nH]c2c1cccc2)C(O)=O)=O

InChI

InChI=1S/C21H22N2O4/c1-2-14-7-9-16(10-8-14)27-13-20(24)23-19(21(25)26)11-15-12-22-18-6-4-3-5-17(15)18/h3-10,12,19,22H,2,11,13H2,1H3,(H,23,24)(H,25,26)/t19-/m0/s1

InChI Key

JVNJFKIJZXDEBC-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03011497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.637

Distribution Coefficient, logD

-0.954

Water Solubility, LogSw

-2.68

Polar Surface Area

69.847

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

5847-1614 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CORONAVIRUS Library (20774 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • 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
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5847-1614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5847-1614?
Check Price and Availability of 5847-1614, 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 5847-1614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5847-1614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5847-1614
  • 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 5847-1614 available by request