3701-0040 Screening compound: N-(3-chlorobenzyl)-N-[2-(1H-indol-3-yl)ethyl]amine

3701-0040 Screening compound: N-(3-chlorobenzyl)-N-[2-(1H-indol-3-yl)ethyl]amine
3701-0040 Screening compound: N-(3-chlorobenzyl)-N-[2-(1H-indol-3-yl)ethyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3701-0040
N-(3-chlorobenzyl)-N-[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

3701-0040

Molecular Formula

C17H17ClN2 (C17 H17 ClN2)

Compound Name

N-(3-chlorobenzyl)-N-[2-(1H-indol-3-yl)ethyl]amine

IUPAC name

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

SMILES

Clc1cc(CNCCc2c[nH]c3c2cccc3)ccc1

InChI

InChI=1S/C17H17ClN2/c18-15-5-3-4-13(10-15)11-19-9-8-14-12-20-17-7-2-1-6-16(14)17/h1-7,10,12,19-20H,8-9,11H2

InChI Key

QDPIEYJXTMKWCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02177312

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

284.79

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

3.736

Distribution Coefficient, logD

2.419

Water Solubility, LogSw

-4.18

Polar Surface Area

21.717

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

8.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

3701-0040 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3701-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3701-0040?
Check Price and Availability of 3701-0040, 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 3701-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3701-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3701-0040
  • 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 3701-0040 available by request