M564-0085 Screening compound: 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,2-oxazol-5-amine

M564-0085 Screening compound: 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,2-oxazol-5-amine
M564-0085 Screening compound: 3-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,2-oxazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound M564-0085
3-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,2-oxazol-5-amine

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

M564-0085

Molecular Formula

C15H16FN3O2 (C15 H16 FN3 O2)

Compound Name

3-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,2-oxazol-5-amine

IUPAC name

3-[1-(2-fluorobenzoyl)piperidin-4-yl]-12-oxazol-5-amine

SMILES

Nc1cc(C(CC2)CCN2C(c(cccc2)c2F)=O)no1

InChI

InChI=1S/C15H16FN3O2/c16-12-4-2-1-3-11(12)15(20)19-7-5-10(6-8-19)13-9-14(17)21-18-13/h1-4,9-10H,5-8,17H2

InChI Key

YLJWLFYTFVZTCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27547237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.31

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

1.671

Distribution Coefficient, logD

1.671

Water Solubility, LogSw

-2.43

Polar Surface Area

59.928

Acid Dissociation Constant (pKa)

17.97

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

M564-0085 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M564-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M564-0085?
Check Price and Availability of M564-0085, 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 M564-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M564-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M564-0085
  • 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 M564-0085 available by request