S428-1128 Screening compound: 1-(4-{[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)-2-{[3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino}ethan-1-one

S428-1128 Screening compound: 1-(4-{[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)-2-{[3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino}ethan-1-one
S428-1128 Screening compound: 1-(4-{[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)-2-{[3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S428-1128
1-(4-{[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)-2-{[3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino}ethan-1-one

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

S428-1128

Molecular Formula

C25H29N9O3 (C25 H29 N9 O3)

Compound Name

1-(4-{[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)-2-{[3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino}ethan-1-one

IUPAC name

1-(4-{[3-(oxan-4-yl)-124-oxadiazol-5-yl]methyl}piperidin-1-yl)-2-{[3-(pyridin-3-yl)-[124]triazolo[43-b]pyridazin-6-yl]amino}ethan-1-one

SMILES

O=C(CNc1nn2c(-c3cnccc3)nnc2cc1)N1CCC(Cc2nc(C3CCOCC3)no2)CC1

InChI

InChI=1S/C25H29N9O3/c35-23(16-27-20-3-4-21-29-30-25(34(21)31-20)19-2-1-9-26-15-19)33-10-5-17(6-11-33)14-22-28-24(32-37-22)18-7-12-36-13-8-18/h1-4,9,15,17-18H,5-8,10-14,16H2,(H,27,31)

InChI Key

IMOSZJMIHIGIPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29012178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.892

Distribution Coefficient, logD

1.891

Water Solubility, LogSw

-1.82

Polar Surface Area

108.281

Acid Dissociation Constant (pKa)

16.54

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

S428-1128 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Immunological Library (6760 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Targets:
  • Others

References: we are preparing a list of scientific research reports with S428-1128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S428-1128?
Check Price and Availability of S428-1128, 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 S428-1128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S428-1128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S428-1128
  • 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 S428-1128 available by request