4964-5140 Screening compound: [(4-fluorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amine

4964-5140 Screening compound: [(4-fluorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amine
4964-5140 Screening compound: [(4-fluorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4964-5140
[(4-fluorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amine

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

4964-5140

Molecular Formula

C17H17FN2 (C17 H17 FN2)

Compound Name

[(4-fluorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amine

IUPAC name

[(4-fluorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amine

SMILES

Fc1ccc(CNCCc2c[nH]c3c2cccc3)cc1

InChI

InChI=1S/C17H17FN2/c18-15-7-5-13(6-8-15)11-19-10-9-14-12-20-17-4-2-1-3-16(14)17/h1-8,12,19-20H,9-11H2

InChI Key

GNAOYSCNQZGVBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01135916

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

268.33

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.068

Distribution Coefficient, logD

1.777

Water Solubility, LogSw

-2.94

Polar Surface Area

21.717

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

8.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

4964-5140 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Glucocorticoid receptors Library (4806 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
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with 4964-5140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4964-5140?
Check Price and Availability of 4964-5140, 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 4964-5140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4964-5140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4964-5140
  • 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 4964-5140 available by request