M564-0050 Screening compound: (2E)-1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-3-(thiophen-2-yl)prop-2-en-1-one

M564-0050 Screening compound: (2E)-1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-3-(thiophen-2-yl)prop-2-en-1-one
M564-0050 Screening compound: (2E)-1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-3-(thiophen-2-yl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M564-0050
(2E)-1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-3-(thiophen-2-yl)prop-2-en-1-one

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

M564-0050

Molecular Formula

C15H17N3O2S (C15 H17 N3 O2 S)

Compound Name

(2E)-1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-3-(thiophen-2-yl)prop-2-en-1-one

IUPAC name

(2E)-1-[4-(5-amino-12-oxazol-3-yl)piperidin-1-yl]-3-(thiophen-2-yl)prop-2-en-1-one

SMILES

Nc1cc(C(CC2)CCN2C(/C=C/c2cccs2)=O)no1

InChI

InChI=1S/C15H17N3O2S/c16-14-10-13(17-20-14)11-5-7-18(8-6-11)15(19)4-3-12-2-1-9-21-12/h1-4,9-11H,5-8,16H2

InChI Key

LOCRKWBOJZIFCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29019538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.696

Distribution Coefficient, logD

1.696

Water Solubility, LogSw

-2.33

Polar Surface Area

60.419

Acid Dissociation Constant (pKa)

17.97

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M564-0050 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with M564-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M564-0050?
Check Price and Availability of M564-0050, 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 M564-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M564-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M564-0050
  • 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 M564-0050 available by request