1682-4421 Screening compound: ethyl 3-(1H-indol-3-yl)-2-[(4-methylphenyl)formamido]propanoate

1682-4421 Screening compound: ethyl 3-(1H-indol-3-yl)-2-[(4-methylphenyl)formamido]propanoate
1682-4421 Screening compound: ethyl 3-(1H-indol-3-yl)-2-[(4-methylphenyl)formamido]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-4421
ethyl 3-(1H-indol-3-yl)-2-[(4-methylphenyl)formamido]propanoate

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

1682-4421

Molecular Formula

C21H22N2O3 (C21 H22 N2 O3)

Compound Name

ethyl 3-(1H-indol-3-yl)-2-[(4-methylphenyl)formamido]propanoate

IUPAC name

ethyl 3-(1H-indol-3-yl)-2-[(4-methylphenyl)formamido]propanoate

SMILES

CCOC(C(Cc1c[nH]c2c1cccc2)NC(c1ccc(C)cc1)=O)=O

InChI

InChI=1S/C21H22N2O3/c1-3-26-21(25)19(23-20(24)15-10-8-14(2)9-11-15)12-16-13-22-18-7-5-4-6-17(16)18/h4-11,13,19,22H,3,12H2,1-2H3,(H,23,24)

InChI Key

VUXVVLJZRAQTIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00522897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.704

Distribution Coefficient, logD

3.704

Water Solubility, LogSw

-3.93

Polar Surface Area

54.907

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

1682-4421 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Glucocorticoid receptors Library (4806 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1682-4421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-4421?
Check Price and Availability of 1682-4421, 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 1682-4421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-4421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-4421
  • 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 1682-4421 available by request