Y600-5000 Screening compound: 4-[(4-aminopiperidino)methyl]benzonitrile

Y600-5000 Screening compound: 4-[(4-aminopiperidino)methyl]benzonitrile
Y600-5000 Screening compound: 4-[(4-aminopiperidino)methyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-5000
4-[(4-aminopiperidino)methyl]benzonitrile

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

Y600-5000

Molecular Formula

C13H17N3 (C13 H17 N3)

Compound Name

4-[(4-aminopiperidino)methyl]benzonitrile

IUPAC name

4-[(4-aminopiperidin-1-yl)methyl]benzonitrile

SMILES

NC1CCN(Cc(cc2)ccc2C#N)CC1

InChI

InChI=1S/C13H17N3/c14-9-11-1-3-12(4-2-11)10-16-7-5-13(15)6-8-16/h1-4,13H,5-8,10,15H2

InChI Key

NPRFHMPSSNCLDY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

215.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

0.749

Distribution Coefficient, logD

-1.703

Water Solubility, LogSw

-0.99

Polar Surface Area

40.802

Acid Dissociation Constant (pKa)

26.50

Base Dissociation Constant (pKb)

9.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

Y600-5000 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y600-5000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-5000?
Check Price and Availability of Y600-5000, 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 Y600-5000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-5000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-5000
  • 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 Y600-5000 available by request