1683-0743 Screening compound: ethyl 3-(1H-indol-3-yl)-2-[(2E)-3-phenylprop-2-enamido]propanoate

1683-0743 Screening compound: ethyl 3-(1H-indol-3-yl)-2-[(2E)-3-phenylprop-2-enamido]propanoate
1683-0743 Screening compound: ethyl 3-(1H-indol-3-yl)-2-[(2E)-3-phenylprop-2-enamido]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-0743
ethyl 3-(1H-indol-3-yl)-2-[(2E)-3-phenylprop-2-enamido]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

1683-0743

Molecular Formula

C22H22N2O3 (C22 H22 N2 O3)

Compound Name

ethyl 3-(1H-indol-3-yl)-2-[(2E)-3-phenylprop-2-enamido]propanoate

IUPAC name

ethyl 3-(1H-indol-3-yl)-2-[(2E)-3-phenylprop-2-enamido]propanoate

SMILES

CCOC(C(Cc1c[nH]c2c1cccc2)NC(/C=C/c1ccccc1)=O)=O

InChI

InChI=1S/C22H22N2O3/c1-2-27-22(26)20(14-17-15-23-19-11-7-6-10-18(17)19)24-21(25)13-12-16-8-4-3-5-9-16/h3-13,15,20,23H,2,14H2,1H3,(H,24,25)/t20-/m0/s1

InChI Key

HQZSPPXAMHQOFA-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD00706836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.861

Distribution Coefficient, logD

3.861

Water Solubility, LogSw

-4.02

Polar Surface Area

54.693

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

1683-0743 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Integrin Receptors Targeted library (1715 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Others
  • Phosphatases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1683-0743 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-0743?
Check Price and Availability of 1683-0743, 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 1683-0743 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-0743
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-0743
  • 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 1683-0743 available by request