F891-0411 Screening compound: 1-{[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}-N-[(pyridin-2-yl)methyl]piperidine-4-carboxamide

F891-0411 Screening compound: 1-{[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}-N-[(pyridin-2-yl)methyl]piperidine-4-carboxamide
F891-0411 Screening compound: 1-{[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}-N-[(pyridin-2-yl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F891-0411
1-{[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}-N-[(pyridin-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

F891-0411

Molecular Formula

C21H25N5O4S2 (C21 H25 N5 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCc1nc(-c2cc(S(N(CC3)CCC3C(NCc3ncccc3)=O)(=O)=O)c(C)s2)no1

InChI

InChI=1S/C21H25N5O4S2/c1-3-19-24-20(25-30-19)17-12-18(14(2)31-17)32(28,29)26-10-7-15(8-11-26)21(27)23-13-16-6-4-5-9-22-16/h4-6,9,12,15H,3,7-8,10-11,13H2,1-2H3,(H,23,27)

InChI Key

ZUBXYMMWSHVGTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27201925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.59

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

2.620

Distribution Coefficient, logD

2.620

Water Solubility, LogSw

-2.99

Polar Surface Area

98.267

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

F891-0411 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with F891-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F891-0411?
Check Price and Availability of F891-0411, 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 F891-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F891-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F891-0411
  • 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 F891-0411 available by request