6636-0001 Screening compound: methyl 1-(2-phenoxyethyl)-1H-indole-3-carboxylate

6636-0001 Screening compound: methyl 1-(2-phenoxyethyl)-1H-indole-3-carboxylate
6636-0001 Screening compound: methyl 1-(2-phenoxyethyl)-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6636-0001
methyl 1-(2-phenoxyethyl)-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

6636-0001

Molecular Formula

C18H17NO3 (C18 H17 NO3)

Compound Name

methyl 1-(2-phenoxyethyl)-1H-indole-3-carboxylate

IUPAC name

methyl 1-(2-phenoxyethyl)-1H-indole-3-carboxylate

SMILES

COC(c1cn(CCOc2ccccc2)c2c1cccc2)=O

InChI

InChI=1S/C18H17NO3/c1-21-18(20)16-13-19(17-10-6-5-9-15(16)17)11-12-22-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3

InChI Key

XRLJHAXZJSSBGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03928258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.882

Distribution Coefficient, logD

3.882

Water Solubility, LogSw

-3.80

Polar Surface Area

30.541

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

6636-0001 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 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
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6636-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6636-0001?
Check Price and Availability of 6636-0001, 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 6636-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6636-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6636-0001
  • 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 6636-0001 available by request