3702-0630 Screening compound: 3-({4-[(4-bromophenyl)methyl]piperazin-1-yl}methyl)-1H-indole

3702-0630 Screening compound: 3-({4-[(4-bromophenyl)methyl]piperazin-1-yl}methyl)-1H-indole
3702-0630 Screening compound: 3-({4-[(4-bromophenyl)methyl]piperazin-1-yl}methyl)-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3702-0630
3-({4-[(4-bromophenyl)methyl]piperazin-1-yl}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

3702-0630

Molecular Formula

C20H22BrN3 (C20 H22 BrN3)

Compound Name

3-({4-[(4-bromophenyl)methyl]piperazin-1-yl}methyl)-1H-indole

IUPAC name

3-({4-[(4-bromophenyl)methyl]piperazin-1-yl}methyl)-1H-indole

SMILES

Brc1ccc(CN2CCN(Cc3c[nH]c4c3cccc4)CC2)cc1

InChI

InChI=1S/C20H22BrN3/c21-18-7-5-16(6-8-18)14-23-9-11-24(12-10-23)15-17-13-22-20-4-2-1-3-19(17)20/h1-8,13,22H,9-12,14-15H2

InChI Key

WCGNEUNDEPMGTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02040766

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

384.32

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.974

Distribution Coefficient, logD

2.834

Water Solubility, LogSw

-4.18

Polar Surface Area

17.382

Acid Dissociation Constant (pKa)

18.66

Base Dissociation Constant (pKb)

8.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

3702-0630 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3702-0630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3702-0630?
Check Price and Availability of 3702-0630, 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 3702-0630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3702-0630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3702-0630
  • 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 3702-0630 available by request