F894-0464 Screening compound: 1-{[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}-3-(4-methylpiperidine-1-carbonyl)piperidine

F894-0464 Screening compound: 1-{[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}-3-(4-methylpiperidine-1-carbonyl)piperidine
F894-0464 Screening compound: 1-{[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}-3-(4-methylpiperidine-1-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound F894-0464
1-{[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}-3-(4-methylpiperidine-1-carbonyl)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

F894-0464

Molecular Formula

C21H30N4O4S2 (C21 H30 N4 O4 S2)

Compound Name

1-{[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}-3-(4-methylpiperidine-1-carbonyl)piperidine

IUPAC name

1-{[5-(5-ethyl-124-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}-3-(4-methylpiperidine-1-carbonyl)piperidine

SMILES

CCc1nc(-c2cc(S(N(CCC3)CC3C(N3CCC(C)CC3)=O)(=O)=O)c(C)s2)no1

InChI

InChI=1S/C21H30N4O4S2/c1-4-19-22-20(23-29-19)17-12-18(15(3)30-17)31(27,28)25-9-5-6-16(13-25)21(26)24-10-7-14(2)8-11-24/h12,14,16H,4-11,13H2,1-3H3/t16-/m0/s1

InChI Key

CICPUXFIBTXRGX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27202520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.636

Distribution Coefficient, logD

3.636

Water Solubility, LogSw

-3.77

Polar Surface Area

80.892

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

F894-0464 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 F894-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F894-0464?
Check Price and Availability of F894-0464, 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 F894-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F894-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F894-0464
  • 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 F894-0464 available by request