3169-0701 Screening compound: 3-{[4-(4-methoxybenzyl)piperazino]methyl}-1H-indole

3169-0701 Screening compound: 3-{[4-(4-methoxybenzyl)piperazino]methyl}-1H-indole
3169-0701 Screening compound: 3-{[4-(4-methoxybenzyl)piperazino]methyl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3169-0701
3-{[4-(4-methoxybenzyl)piperazino]methyl}-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

3169-0701

Molecular Formula

C21H25N3O (C21 H25 N3 O)

Compound Name

3-{[4-(4-methoxybenzyl)piperazino]methyl}-1H-indole

IUPAC name

n/a

SMILES

COc1ccc(CN2CCN(Cc3c[nH]c4c3cccc4)CC2)cc1

InChI

InChI=1S/C21H25N3O/c1-25-19-8-6-17(7-9-19)15-23-10-12-24(13-11-23)16-18-14-22-21-5-3-2-4-20(18)21/h2-9,14,22H,10-13,15-16H2,1H3

InChI Key

IGLAPTRWWKZNHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02040772

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

335.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.122

Distribution Coefficient, logD

1.983

Water Solubility, LogSw

-3.06

Polar Surface Area

24.926

Acid Dissociation Constant (pKa)

18.66

Base Dissociation Constant (pKb)

8.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

3169-0701 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3169-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3169-0701?
Check Price and Availability of 3169-0701, 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 3169-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3169-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3169-0701
  • 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 3169-0701 available by request