8009-1475 Screening compound: 1-methyl-2-{[4-(2-methylphenyl)piperazino]methyl}-1H-indol-3-yl cyanide

8009-1475 Screening compound: 1-methyl-2-{[4-(2-methylphenyl)piperazino]methyl}-1H-indol-3-yl cyanide
8009-1475 Screening compound: 1-methyl-2-{[4-(2-methylphenyl)piperazino]methyl}-1H-indol-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-1475
1-methyl-2-{[4-(2-methylphenyl)piperazino]methyl}-1H-indol-3-yl cyanide

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

8009-1475

Molecular Formula

C22H24N4 (C22 H24 N4)

Compound Name

1-methyl-2-{[4-(2-methylphenyl)piperazino]methyl}-1H-indol-3-yl cyanide

IUPAC name

1-methyl-2-{[4-(2-methylphenyl)piperazin-1-yl]methyl}-1H-indole-3-carbonitrile

SMILES

Cc(cccc1)c1N1CCN(Cc(n(C)c2c3cccc2)c3C#N)CC1

InChI

InChI=1S/C22H24N4/c1-17-7-3-5-9-20(17)26-13-11-25(12-14-26)16-22-19(15-23)18-8-4-6-10-21(18)24(22)2/h3-10H,11-14,16H2,1-2H3

InChI Key

SBGZZWLMTXYIMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01420081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.46

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.808

Distribution Coefficient, logD

3.753

Water Solubility, LogSw

-4.18

Polar Surface Area

25.779

Acid Dissociation Constant (pKa)

27.97

Base Dissociation Constant (pKb)

6.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

8009-1475 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS Targets (44014 compounds)

STING Agonist Library (5895 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8009-1475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-1475?
Check Price and Availability of 8009-1475, 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 8009-1475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-1475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-1475
  • 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 8009-1475 available by request