8006-8453 Screening compound: piperidinomethyl[2-(4-pyridyl)ethyl]phosphinic acid

8006-8453 Screening compound: piperidinomethyl[2-(4-pyridyl)ethyl]phosphinic acid
8006-8453 Screening compound: piperidinomethyl[2-(4-pyridyl)ethyl]phosphinic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8453
piperidinomethyl[2-(4-pyridyl)ethyl]phosphinic acid

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

8006-8453

Molecular Formula

C13H21N2O2P (C13 H21 N2 O2 P)

Compound Name

piperidinomethyl[2-(4-pyridyl)ethyl]phosphinic acid

IUPAC name

[(piperidin-1-yl)methyl][2-(pyridin-4-yl)ethyl]phosphinic acid

SMILES

OP(CCc1ccncc1)(CN1CCCCC1)=O

InChI

InChI=1S/C13H21N2O2P/c16-18(17,12-15-9-2-1-3-10-15)11-6-13-4-7-14-8-5-13/h4-5,7-8H,1-3,6,9-12H2,(H,16,17)

InChI Key

FYAYTBAFXQVMEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00826959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.578

Distribution Coefficient, logD

0.578

Water Solubility, LogSw

-0.80

Polar Surface Area

41.853

Acid Dissociation Constant (pKa)

2.44

Base Dissociation Constant (pKb)

9.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.54

8006-8453 in Drug Discovery

Included in Screening Libraries

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

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-8453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8453?
Check Price and Availability of 8006-8453, 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 8006-8453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8453
  • 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 8006-8453 available by request