F891-0453 Screening compound: 1-{[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}-N-[(furan-2-yl)methyl]piperidine-4-carboxamide

F891-0453 Screening compound: 1-{[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}-N-[(furan-2-yl)methyl]piperidine-4-carboxamide
F891-0453 Screening compound: 1-{[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}-N-[(furan-2-yl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F891-0453
1-{[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}-N-[(furan-2-yl)methyl]piperidine-4-carboxamide

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

F891-0453

Molecular Formula

C20H24N4O5S2 (C20 H24 N4 O5 S2)

Compound Name

1-{[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}-N-[(furan-2-yl)methyl]piperidine-4-carboxamide

IUPAC name

1-{[5-(5-ethyl-124-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}-N-[(furan-2-yl)methyl]piperidine-4-carboxamide

SMILES

CCc1nc(-c2cc(S(N(CC3)CCC3C(NCc3ccco3)=O)(=O)=O)c(C)s2)no1

InChI

InChI=1S/C20H24N4O5S2/c1-3-18-22-19(23-29-18)16-11-17(13(2)30-16)31(26,27)24-8-6-14(7-9-24)20(25)21-12-15-5-4-10-28-15/h4-5,10-11,14H,3,6-9,12H2,1-2H3,(H,21,25)

InChI Key

CFICOOPUANCQHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27201943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.280

Distribution Coefficient, logD

3.280

Water Solubility, LogSw

-3.41

Polar Surface Area

96.473

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

F891-0453 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with F891-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F891-0453?
Check Price and Availability of F891-0453, 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 F891-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F891-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F891-0453
  • 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 F891-0453 available by request