4964-2981 Screening compound: 3-({4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}methyl)-1H-indole

4964-2981 Screening compound: 3-({4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}methyl)-1H-indole
4964-2981 Screening compound: 3-({4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}methyl)-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4964-2981
3-({4-[(5-bromo-2-methoxyphenyl)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

4964-2981

Molecular Formula

C21H24BrN3O (C21 H24 BrN3 O)

Compound Name

3-({4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}methyl)-1H-indole

IUPAC name

3-({4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}methyl)-1H-indole

SMILES

COc(cc1)c(CN2CCN(Cc3c[nH]c4c3cccc4)CC2)cc1Br

InChI

InChI=1S/C21H24BrN3O/c1-26-21-7-6-18(22)12-16(21)14-24-8-10-25(11-9-24)15-17-13-23-20-5-3-2-4-19(17)20/h2-7,12-13,23H,8-11,14-15H2,1H3

InChI Key

GYKXPGJPYKFFTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02212296

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

414.35

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

3.918

Distribution Coefficient, logD

2.778

Water Solubility, LogSw

-4.10

Polar Surface Area

25.013

Acid Dissociation Constant (pKa)

18.66

Base Dissociation Constant (pKb)

8.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4964-2981 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

CNS Targets (44014 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4964-2981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4964-2981?
Check Price and Availability of 4964-2981, 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 4964-2981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4964-2981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4964-2981
  • 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 4964-2981 available by request