5863-2138 Screening compound: ethyl 5-hydroxy-2-methyl-1-[2-(4-methylphenoxy)ethyl]-1H-indole-3-carboxylate

5863-2138 Screening compound: ethyl 5-hydroxy-2-methyl-1-[2-(4-methylphenoxy)ethyl]-1H-indole-3-carboxylate
5863-2138 Screening compound: ethyl 5-hydroxy-2-methyl-1-[2-(4-methylphenoxy)ethyl]-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5863-2138
ethyl 5-hydroxy-2-methyl-1-[2-(4-methylphenoxy)ethyl]-1H-indole-3-carboxylate

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

5863-2138

Molecular Formula

C21H23NO4 (C21 H23 NO4)

Compound Name

ethyl 5-hydroxy-2-methyl-1-[2-(4-methylphenoxy)ethyl]-1H-indole-3-carboxylate

IUPAC name

ethyl 5-hydroxy-2-methyl-1-[2-(4-methylphenoxy)ethyl]-1H-indole-3-carboxylate

SMILES

CCOC(c1c(C)n(CCOc2ccc(C)cc2)c(cc2)c1cc2O)=O

InChI

InChI=1S/C21H23NO4/c1-4-25-21(24)20-15(3)22(19-10-7-16(23)13-18(19)20)11-12-26-17-8-5-14(2)6-9-17/h5-10,13,23H,4,11-12H2,1-3H3

InChI Key

ZKJQVTNRJVOAHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00759388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.539

Distribution Coefficient, logD

4.537

Water Solubility, LogSw

-4.24

Polar Surface Area

47.206

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

5863-2138 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5863-2138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5863-2138?
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What is the minimum amount of 5863-2138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5863-2138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5863-2138
  • 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 5863-2138 available by request