5969-0012 Screening compound: N-[(furan-2-yl)methyl]-1-methyl-4-(prop-2-en-1-yl)piperidin-4-amine

5969-0012 Screening compound: N-[(furan-2-yl)methyl]-1-methyl-4-(prop-2-en-1-yl)piperidin-4-amine
5969-0012 Screening compound: N-[(furan-2-yl)methyl]-1-methyl-4-(prop-2-en-1-yl)piperidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5969-0012
N-[(furan-2-yl)methyl]-1-methyl-4-(prop-2-en-1-yl)piperidin-4-amine

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

5969-0012

Molecular Formula

C14H22N2O (C14 H22 N2 O)

Compound Name

N-[(furan-2-yl)methyl]-1-methyl-4-(prop-2-en-1-yl)piperidin-4-amine

IUPAC name

N-[(furan-2-yl)methyl]-1-methyl-4-(prop-2-en-1-yl)piperidin-4-amine

SMILES

CN(CC1)CCC1(CC=C)NCc1ccco1

InChI

InChI=1S/C14H22N2O/c1-3-6-14(7-9-16(2)10-8-14)15-12-13-5-4-11-17-13/h3-5,11,15H,1,6-10,12H2,2H3

InChI Key

QJYMSTNDVJLCEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03684104

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

234.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.087

Distribution Coefficient, logD

0.449

Water Solubility, LogSw

-2.37

Polar Surface Area

23.063

Acid Dissociation Constant (pKa)

26.37

Base Dissociation Constant (pKb)

9.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

5969-0012 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5969-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5969-0012?
Check Price and Availability of 5969-0012, 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 5969-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5969-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5969-0012
  • 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 5969-0012 available by request