F891-1477 Screening compound: 8-(1-{[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}piperidine-4-carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane

F891-1477 Screening compound: 8-(1-{[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}piperidine-4-carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane
F891-1477 Screening compound: 8-(1-{[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}piperidine-4-carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound F891-1477
8-(1-{[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}piperidine-4-carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane

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

F891-1477

Molecular Formula

C22H30N4O6S2 (C22 H30 N4 O6 S2)

Compound Name

8-(1-{[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}piperidine-4-carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-(1-{[5-(5-ethyl-124-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}piperidine-4-carbonyl)-14-dioxa-8-azaspiro[4.5]decane

SMILES

CCc1nc(-c2cc(S(N(CC3)CCC3C(N(CC3)CCC33OCCO3)=O)(=O)=O)c(C)s2)no1

InChI

InChI=1S/C22H30N4O6S2/c1-3-19-23-20(24-32-19)17-14-18(15(2)33-17)34(28,29)26-8-4-16(5-9-26)21(27)25-10-6-22(7-11-25)30-12-13-31-22/h14,16H,3-13H2,1-2H3

InChI Key

VZFBEWOJKYNGAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27202054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.64

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.505

Distribution Coefficient, logD

2.505

Water Solubility, LogSw

-2.54

Polar Surface Area

95.396

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.20

F891-1477 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with F891-1477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F891-1477?
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What is the minimum amount of F891-1477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F891-1477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F891-1477
  • 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 F891-1477 available by request