S428-1116 Screening compound: 2-(4-fluorophenyl)-4-(4-{[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)quinoline

S428-1116 Screening compound: 2-(4-fluorophenyl)-4-(4-{[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)quinoline
S428-1116 Screening compound: 2-(4-fluorophenyl)-4-(4-{[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound S428-1116
2-(4-fluorophenyl)-4-(4-{[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)quinoline

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

S428-1116

Molecular Formula

C29H29FN4O3 (C29 H29 FN4 O3)

Compound Name

2-(4-fluorophenyl)-4-(4-{[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)quinoline

IUPAC name

2-(4-fluorophenyl)-4-(4-{[3-(oxan-4-yl)-124-oxadiazol-5-yl]methyl}piperidine-1-carbonyl)quinoline

SMILES

O=C(c1cc(-c(cc2)ccc2F)nc2ccccc12)N1CCC(Cc2nc(C3CCOCC3)no2)CC1

InChI

InChI=1S/C29H29FN4O3/c30-22-7-5-20(6-8-22)26-18-24(23-3-1-2-4-25(23)31-26)29(35)34-13-9-19(10-14-34)17-27-32-28(33-37-27)21-11-15-36-16-12-21/h1-8,18-19,21H,9-17H2

InChI Key

QEHHJTOIQQXDHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29011886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.896

Distribution Coefficient, logD

5.896

Water Solubility, LogSw

-6.28

Polar Surface Area

64.118

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

S428-1116 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

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

PI3K-Targeted Library (17255 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S428-1116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S428-1116?
Check Price and Availability of S428-1116, 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 S428-1116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S428-1116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S428-1116
  • 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 S428-1116 available by request