S428-1204 Screening compound: 4-[(4-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,1,3-benzoxadiazole

S428-1204 Screening compound: 4-[(4-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,1,3-benzoxadiazole
S428-1204 Screening compound: 4-[(4-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,1,3-benzoxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S428-1204
4-[(4-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,1,3-benzoxadiazole

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

S428-1204

Molecular Formula

C24H30N6O6S (C24 H30 N6 O6 S)

Compound Name

4-[(4-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,1,3-benzoxadiazole

IUPAC name

4-[(4-{3-[3-(oxan-4-yl)-124-oxadiazol-5-yl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-213-benzoxadiazole

SMILES

O=C(C(CC1)CCN1S(c1cccc2nonc12)(=O)=O)N(CCC1)CC1c1nc(C2CCOCC2)no1

InChI

InChI=1S/C24H30N6O6S/c31-24(29-10-2-3-18(15-29)23-25-22(28-35-23)16-8-13-34-14-9-16)17-6-11-30(12-7-17)37(32,33)20-5-1-4-19-21(20)27-36-26-19/h1,4-5,16-18H,2-3,6-15H2/t18-/m0/s1

InChI Key

WFUQHYFFNYKEEV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD29012263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.61

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.021

Distribution Coefficient, logD

3.021

Water Solubility, LogSw

-3.12

Polar Surface Area

124.127

Acid Dissociation Constant (pKa)

23.37

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

S428-1204 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Eccentric PPI Library (11937 compounds)

PI3K-Targeted Library (17255 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S428-1204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S428-1204?
Check Price and Availability of S428-1204, 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 S428-1204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S428-1204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S428-1204
  • 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 S428-1204 available by request