F082-0418 Screening compound: [5-methyl-3-(2-pyridyl)-4-isoxazolyl](piperidino)methanone

F082-0418 Screening compound: [5-methyl-3-(2-pyridyl)-4-isoxazolyl](piperidino)methanone
F082-0418 Screening compound: [5-methyl-3-(2-pyridyl)-4-isoxazolyl](piperidino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F082-0418
[5-methyl-3-(2-pyridyl)-4-isoxazolyl](piperidino)methanone

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

F082-0418

Molecular Formula

C15H17N3O2 (C15 H17 N3 O2)

Compound Name

[5-methyl-3-(2-pyridyl)-4-isoxazolyl](piperidino)methanone

IUPAC name

2-[5-methyl-4-(piperidine-1-carbonyl)-12-oxazol-3-yl]pyridine

SMILES

Cc1c(C(N2CCCCC2)=O)c(-c2ncccc2)no1

InChI

InChI=1S/C15H17N3O2/c1-11-13(15(19)18-9-5-2-6-10-18)14(17-20-11)12-7-3-4-8-16-12/h3-4,7-8H,2,5-6,9-10H2,1H3

InChI Key

LOODDCJWXGTSJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27100141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.726

Distribution Coefficient, logD

1.726

Water Solubility, LogSw

-1.81

Polar Surface Area

47.895

Acid Dissociation Constant (pKa)

26.57

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

F082-0418 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with F082-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F082-0418?
Check Price and Availability of F082-0418, 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 F082-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F082-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F082-0418
  • 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 F082-0418 available by request