5829-9107 Screening compound: 1-(1-methyl-1H-indol-3-yl)-2-phenylethan-1-one

5829-9107 Screening compound: 1-(1-methyl-1H-indol-3-yl)-2-phenylethan-1-one
5829-9107 Screening compound: 1-(1-methyl-1H-indol-3-yl)-2-phenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5829-9107
1-(1-methyl-1H-indol-3-yl)-2-phenylethan-1-one

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

5829-9107

Molecular Formula

C17H15NO (C17 H15 NO)

Compound Name

1-(1-methyl-1H-indol-3-yl)-2-phenylethan-1-one

IUPAC name

1-(1-methyl-1H-indol-3-yl)-2-phenylethan-1-one

SMILES

Cn1c(cccc2)c2c(C(Cc2ccccc2)=O)c1

InChI

InChI=1S/C17H15NO/c1-18-12-15(14-9-5-6-10-16(14)18)17(19)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3

InChI Key

GCAICKMEZCUWNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00189244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.31

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.507

Distribution Coefficient, logD

3.507

Water Solubility, LogSw

-3.68

Polar Surface Area

15.773

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

5829-9107 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5829-9107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5829-9107?
Check Price and Availability of 5829-9107, 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 5829-9107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5829-9107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5829-9107
  • 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 5829-9107 available by request