F545-2352 Screening compound: 1-(3-{5-[(1E)-2-(thiophen-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl}benzoyl)piperidine

F545-2352 Screening compound: 1-(3-{5-[(1E)-2-(thiophen-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl}benzoyl)piperidine
F545-2352 Screening compound: 1-(3-{5-[(1E)-2-(thiophen-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl}benzoyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound F545-2352
1-(3-{5-[(1E)-2-(thiophen-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl}benzoyl)piperidine

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

F545-2352

Molecular Formula

C20H19N3O2S (C20 H19 N3 O2 S)

Compound Name

1-(3-{5-[(1E)-2-(thiophen-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl}benzoyl)piperidine

IUPAC name

1-(3-{5-[(1E)-2-(thiophen-2-yl)ethenyl]-124-oxadiazol-3-yl}benzoyl)piperidine

SMILES

O=C(c1cccc(-c2noc(/C=C/c3cccs3)n2)c1)N1CCCCC1

InChI

InChI=1S/C20H19N3O2S/c24-20(23-11-2-1-3-12-23)16-7-4-6-15(14-16)19-21-18(25-22-19)10-9-17-8-5-13-26-17/h4-10,13-14H,1-3,11-12H2

InChI Key

AGWNSEXOCYZUKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14958656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.303

Distribution Coefficient, logD

4.303

Water Solubility, LogSw

-4.34

Polar Surface Area

48.977

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F545-2352 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F545-2352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F545-2352?
Check Price and Availability of F545-2352, 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 F545-2352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F545-2352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F545-2352
  • 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 F545-2352 available by request