M564-0298 Screening compound: 3-{1-[(4-ETHYLPHENYL)SULFONYL]-4-PIPERIDYL}-5-ISOXAZOLAMINE

M564-0298 Screening compound: 3-{1-[(4-ETHYLPHENYL)SULFONYL]-4-PIPERIDYL}-5-ISOXAZOLAMINE
M564-0298 Screening compound: 3-{1-[(4-ETHYLPHENYL)SULFONYL]-4-PIPERIDYL}-5-ISOXAZOLAMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound M564-0298
3-{1-[(4-ETHYLPHENYL)SULFONYL]-4-PIPERIDYL}-5-ISOXAZOLAMINE

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

M564-0298

Molecular Formula

C16H21N3O3S (C16 H21 N3 O3 S)

Compound Name

3-{1-[(4-ETHYLPHENYL)SULFONYL]-4-PIPERIDYL}-5-ISOXAZOLAMINE

IUPAC name

n/a

SMILES

CCc(cc1)ccc1S(N(CC1)CCC1c1noc(N)c1)(=O)=O

InChI

InChI=1S/C16H21N3O3S/c1-2-12-3-5-14(6-4-12)23(20,21)19-9-7-13(8-10-19)15-11-16(17)22-18-15/h3-6,11,13H,2,7-10,17H2,1H3

InChI Key

LRFIJSMKLFOEKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29018912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.795

Distribution Coefficient, logD

2.795

Water Solubility, LogSw

-3.15

Polar Surface Area

74.990

Acid Dissociation Constant (pKa)

17.97

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

M564-0298 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M564-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M564-0298?
Check Price and Availability of M564-0298, 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 M564-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M564-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M564-0298
  • 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 M564-0298 available by request