S428-1043 Screening compound: N-methyl-N-[2-(4-{[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide

S428-1043 Screening compound: N-methyl-N-[2-(4-{[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
S428-1043 Screening compound: N-methyl-N-[2-(4-{[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S428-1043
N-methyl-N-[2-(4-{[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide

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

S428-1043

Molecular Formula

C20H28N4O5S2 (C20 H28 N4 O5 S2)

Compound Name

N-methyl-N-[2-(4-{[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide

IUPAC name

N-methyl-N-[2-(4-{[3-(oxan-4-yl)-124-oxadiazol-5-yl]methyl}piperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide

SMILES

CN(CC(N1CCC(Cc2nc(C3CCOCC3)no2)CC1)=O)S(c1cccs1)(=O)=O

InChI

InChI=1S/C20H28N4O5S2/c1-23(31(26,27)19-3-2-12-30-19)14-18(25)24-8-4-15(5-9-24)13-17-21-20(22-29-17)16-6-10-28-11-7-16/h2-3,12,15-16H,4-11,13-14H2,1H3

InChI Key

VMBSIPOWLHIDST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31992500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.271

Distribution Coefficient, logD

2.271

Water Solubility, LogSw

-2.65

Polar Surface Area

89.386

Acid Dissociation Constant (pKa)

23.40

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

S428-1043 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S428-1043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S428-1043?
Check Price and Availability of S428-1043, 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 S428-1043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S428-1043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S428-1043
  • 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 S428-1043 available by request