K040-0095 Screening compound: methyl 5-oxo-5-[2-(pyridin-3-yl)piperidin-1-yl]pentanoate

K040-0095 Screening compound: methyl 5-oxo-5-[2-(pyridin-3-yl)piperidin-1-yl]pentanoate
K040-0095 Screening compound: methyl 5-oxo-5-[2-(pyridin-3-yl)piperidin-1-yl]pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K040-0095
methyl 5-oxo-5-[2-(pyridin-3-yl)piperidin-1-yl]pentanoate

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

K040-0095

Molecular Formula

C16H22N2O3 (C16 H22 N2 O3)

Compound Name

methyl 5-oxo-5-[2-(pyridin-3-yl)piperidin-1-yl]pentanoate

IUPAC name

methyl 5-oxo-5-[2-(pyridin-3-yl)piperidin-1-yl]pentanoate

SMILES

COC(CCCC(N(CCCC1)C1c1cnccc1)=O)=O

InChI

InChI=1S/C16H22N2O3/c1-21-16(20)9-4-8-15(19)18-11-3-2-7-14(18)13-6-5-10-17-12-13/h5-6,10,12,14H,2-4,7-9,11H2,1H3/t14-/m0/s1

InChI Key

BKXAANHSIANARO-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01933220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.145

Distribution Coefficient, logD

1.145

Water Solubility, LogSw

-0.88

Polar Surface Area

46.150

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

K040-0095 in Drug Discovery

Included in Screening Libraries

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

Integrin Receptors Targeted library (1715 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with K040-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K040-0095?
Check Price and Availability of K040-0095, 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 K040-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K040-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K040-0095
  • 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 K040-0095 available by request