6650-5859 Screening compound: N'-[(4-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]ethanediamide

6650-5859 Screening compound: N'-[(4-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]ethanediamide
6650-5859 Screening compound: N'-[(4-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6650-5859
N'-[(4-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]ethanediamide

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

6650-5859

Molecular Formula

C19H18ClN3O2 (C19 H18 ClN3 O2)

Compound Name

N'-[(4-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]ethanediamide

IUPAC name

N'-[(4-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]ethanediamide

SMILES

O=C(C(NCc(cc1)ccc1Cl)=O)NCCc1c[nH]c2c1cccc2

InChI

InChI=1S/C19H18ClN3O2/c20-15-7-5-13(6-8-15)11-23-19(25)18(24)21-10-9-14-12-22-17-4-2-1-3-16(14)17/h1-8,12,22H,9-11H2,(H,21,24)(H,23,25)

InChI Key

WACCIBPSJHOWPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06124738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.815

Distribution Coefficient, logD

2.737

Water Solubility, LogSw

-3.37

Polar Surface Area

59.049

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

6650-5859 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 6650-5859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6650-5859?
Check Price and Availability of 6650-5859, 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 6650-5859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6650-5859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6650-5859
  • 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 6650-5859 available by request