S428-0998 Screening compound: 1-{1-[(4-methylpiperidin-1-yl)sulfonyl]piperidine-4-carbonyl}-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine

S428-0998 Screening compound: 1-{1-[(4-methylpiperidin-1-yl)sulfonyl]piperidine-4-carbonyl}-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine
S428-0998 Screening compound: 1-{1-[(4-methylpiperidin-1-yl)sulfonyl]piperidine-4-carbonyl}-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S428-0998
1-{1-[(4-methylpiperidin-1-yl)sulfonyl]piperidine-4-carbonyl}-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]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

S428-0998

Molecular Formula

C24H39N5O5S (C24 H39 N5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1S(N(CC1)CCC1C(N(CC1)CCC1c1nc(C2CCOCC2)no1)=O)(=O)=O

InChI

InChI=1S/C24H39N5O5S/c1-18-2-12-28(13-3-18)35(31,32)29-14-6-21(7-15-29)24(30)27-10-4-20(5-11-27)23-25-22(26-34-23)19-8-16-33-17-9-19/h18-21H,2-17H2,1H3

InChI Key

PRQNZFSKEFAHLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29011865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.67

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.536

Distribution Coefficient, logD

2.536

Water Solubility, LogSw

-2.50

Polar Surface Area

90.510

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

87.50

S428-0998 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S428-0998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S428-0998?
Check Price and Availability of S428-0998, 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 S428-0998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S428-0998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S428-0998
  • 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 S428-0998 available by request