2044-2146 Screening compound: ethyl 2-methyl-5-[(2-methylpropanoyl)oxy]-1-phenyl-1H-indole-3-carboxylate

2044-2146 Screening compound: ethyl 2-methyl-5-[(2-methylpropanoyl)oxy]-1-phenyl-1H-indole-3-carboxylate
2044-2146 Screening compound: ethyl 2-methyl-5-[(2-methylpropanoyl)oxy]-1-phenyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2044-2146
ethyl 2-methyl-5-[(2-methylpropanoyl)oxy]-1-phenyl-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

2044-2146

Molecular Formula

C22H23NO4 (C22 H23 NO4)

Compound Name

ethyl 2-methyl-5-[(2-methylpropanoyl)oxy]-1-phenyl-1H-indole-3-carboxylate

IUPAC name

ethyl 2-methyl-5-[(2-methylpropanoyl)oxy]-1-phenyl-1H-indole-3-carboxylate

SMILES

CCOC(c(c1c2ccc(OC(C(C)C)=O)c1)c(C)n2-c1ccccc1)=O

InChI

InChI=1S/C22H23NO4/c1-5-26-22(25)20-15(4)23(16-9-7-6-8-10-16)19-12-11-17(13-18(19)20)27-21(24)14(2)3/h6-14H,5H2,1-4H3

InChI Key

AJBDWQBKPFXKRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04406025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.801

Distribution Coefficient, logD

4.801

Water Solubility, LogSw

-4.77

Polar Surface Area

43.585

Acid Dissociation Constant (pKa)

20.95

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

2044-2146 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 2044-2146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2044-2146?
Check Price and Availability of 2044-2146, 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 2044-2146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2044-2146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2044-2146
  • 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 2044-2146 available by request