M564-0077 Screening compound: [4-(5-amino-3-isoxazolyl)piperidino](3-thienyl)methanone

M564-0077 Screening compound: [4-(5-amino-3-isoxazolyl)piperidino](3-thienyl)methanone
M564-0077 Screening compound: [4-(5-amino-3-isoxazolyl)piperidino](3-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound M564-0077
[4-(5-amino-3-isoxazolyl)piperidino](3-thienyl)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

M564-0077

Molecular Formula

C13H15N3O2S (C13 H15 N3 O2 S)

Compound Name

[4-(5-amino-3-isoxazolyl)piperidino](3-thienyl)methanone

IUPAC name

n/a

SMILES

Nc1cc(C(CC2)CCN2C(c2cscc2)=O)no1

InChI

InChI=1S/C13H15N3O2S/c14-12-7-11(15-18-12)9-1-4-16(5-2-9)13(17)10-3-6-19-8-10/h3,6-9H,1-2,4-5,14H2

InChI Key

KBJRANJINOWMTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29018822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.350

Distribution Coefficient, logD

1.350

Water Solubility, LogSw

-2.18

Polar Surface Area

60.946

Acid Dissociation Constant (pKa)

17.97

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

M564-0077 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M564-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M564-0077?
Check Price and Availability of M564-0077, 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 M564-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M564-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M564-0077
  • 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 M564-0077 available by request