5260-0020 Screening compound: 3-(3-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}propyl)-1H-indole

5260-0020 Screening compound: 3-(3-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}propyl)-1H-indole
5260-0020 Screening compound: 3-(3-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}propyl)-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5260-0020
3-(3-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}propyl)-1H-indole

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

5260-0020

Molecular Formula

C28H30ClN3 (C28 H30 ClN3)

Compound Name

3-(3-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}propyl)-1H-indole

IUPAC name

3-(3-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}propyl)-1H-indole

SMILES

Clc1ccc(C(c2ccccc2)N2CCN(CCCc3c[nH]c4c3cccc4)CC2)cc1

InChI

InChI=1S/C28H30ClN3/c29-25-14-12-23(13-15-25)28(22-7-2-1-3-8-22)32-19-17-31(18-20-32)16-6-9-24-21-30-27-11-5-4-10-26(24)27/h1-5,7-8,10-15,21,28,30H,6,9,16-20H2/t28-/m0/s1

InChI Key

MDHWZXAVBYFNDP-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD00337318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.02

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.009

Distribution Coefficient, logD

5.569

Water Solubility, LogSw

-6.61

Polar Surface Area

16.382

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

7.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

5260-0020 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5260-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5260-0020?
Check Price and Availability of 5260-0020, 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 5260-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5260-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5260-0020
  • 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 5260-0020 available by request