8008-3602 Screening compound: {4-[(3-cyano-1-methyl-1H-indol-2-yl)methyl]tetrahydro-1-pyrazinyl}methyl cyanide

8008-3602 Screening compound: {4-[(3-cyano-1-methyl-1H-indol-2-yl)methyl]tetrahydro-1-pyrazinyl}methyl cyanide
8008-3602 Screening compound: {4-[(3-cyano-1-methyl-1H-indol-2-yl)methyl]tetrahydro-1-pyrazinyl}methyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-3602
{4-[(3-cyano-1-methyl-1H-indol-2-yl)methyl]tetrahydro-1-pyrazinyl}methyl 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

8008-3602

Molecular Formula

C17H19N5 (C17 H19 N5)

Compound Name

{4-[(3-cyano-1-methyl-1H-indol-2-yl)methyl]tetrahydro-1-pyrazinyl}methyl cyanide

IUPAC name

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

SMILES

Cn1c(cccc2)c2c(C#N)c1CN1CCN(CC#N)CC1

InChI

InChI=1S/C17H19N5/c1-20-16-5-3-2-4-14(16)15(12-19)17(20)13-22-10-8-21(7-6-18)9-11-22/h2-5H,7-11,13H2,1H3

InChI Key

XBBSBWSDZWMCHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01206932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.912

Distribution Coefficient, logD

0.909

Water Solubility, LogSw

-1.22

Polar Surface Area

44.102

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

8008-3602 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8008-3602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-3602?
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What is the minimum amount of 8008-3602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-3602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-3602
  • 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 8008-3602 available by request