M564-0029 Screening compound: 1-[4-(5-amino-3-isoxazolyl)piperidino]-2-(benzyloxy)-1-ethanone

M564-0029 Screening compound: 1-[4-(5-amino-3-isoxazolyl)piperidino]-2-(benzyloxy)-1-ethanone
M564-0029 Screening compound: 1-[4-(5-amino-3-isoxazolyl)piperidino]-2-(benzyloxy)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound M564-0029
1-[4-(5-amino-3-isoxazolyl)piperidino]-2-(benzyloxy)-1-ethanone

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

M564-0029

Molecular Formula

C17H21N3O3 (C17 H21 N3 O3)

Compound Name

1-[4-(5-amino-3-isoxazolyl)piperidino]-2-(benzyloxy)-1-ethanone

IUPAC name

n/a

SMILES

Nc1cc(C(CC2)CCN2C(COCc2ccccc2)=O)no1

InChI

InChI=1S/C17H21N3O3/c18-16-10-15(19-23-16)14-6-8-20(9-7-14)17(21)12-22-11-13-4-2-1-3-5-13/h1-5,10,14H,6-9,11-12,18H2

InChI Key

QUFVYJGRJVWBQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29019584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.364

Distribution Coefficient, logD

1.364

Water Solubility, LogSw

-1.65

Polar Surface Area

67.835

Acid Dissociation Constant (pKa)

17.97

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

M564-0029 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with M564-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M564-0029?
Check Price and Availability of M564-0029, 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 M564-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M564-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M564-0029
  • 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 M564-0029 available by request