5786-2391 Screening compound: ethyl 5-hydroxy-1,2-dimethyl-6-(4-methylphenyl)-1H-indole-3-carboxylate

5786-2391 Screening compound: ethyl 5-hydroxy-1,2-dimethyl-6-(4-methylphenyl)-1H-indole-3-carboxylate
5786-2391 Screening compound: ethyl 5-hydroxy-1,2-dimethyl-6-(4-methylphenyl)-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5786-2391
ethyl 5-hydroxy-1,2-dimethyl-6-(4-methylphenyl)-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

5786-2391

Molecular Formula

C20H21NO3 (C20 H21 NO3)

Compound Name

ethyl 5-hydroxy-1,2-dimethyl-6-(4-methylphenyl)-1H-indole-3-carboxylate

IUPAC name

ethyl 5-hydroxy-12-dimethyl-6-(4-methylphenyl)-1H-indole-3-carboxylate

SMILES

CCOC(c1c(C)n(C)c(cc2-c3ccc(C)cc3)c1cc2O)=O

InChI

InChI=1S/C20H21NO3/c1-5-24-20(23)19-13(3)21(4)17-10-15(18(22)11-16(17)19)14-8-6-12(2)7-9-14/h6-11,22H,5H2,1-4H3

InChI Key

SLBHRCLGSJLTPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03304429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.732

Distribution Coefficient, logD

4.732

Water Solubility, LogSw

-4.43

Polar Surface Area

39.551

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5786-2391 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5786-2391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5786-2391?
Check Price and Availability of 5786-2391, 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 5786-2391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5786-2391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5786-2391
  • 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 5786-2391 available by request