S428-1285 Screening compound: 1-[(4-methylpiperidin-1-yl)sulfonyl]-4-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}piperidine

S428-1285 Screening compound: 1-[(4-methylpiperidin-1-yl)sulfonyl]-4-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}piperidine
S428-1285 Screening compound: 1-[(4-methylpiperidin-1-yl)sulfonyl]-4-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S428-1285
1-[(4-methylpiperidin-1-yl)sulfonyl]-4-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}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

S428-1285

Molecular Formula

C23H37N5O5S (C23 H37 N5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1S(N(CC1)CCC1C(N(CC1)CC1c1nc(C2CCOCC2)no1)=O)(=O)=O

InChI

InChI=1S/C23H37N5O5S/c1-17-2-10-27(11-3-17)34(30,31)28-12-5-19(6-13-28)23(29)26-9-4-20(16-26)22-24-21(25-33-22)18-7-14-32-15-8-18/h17-20H,2-16H2,1H3/t20-/m1/s1

InChI Key

GJQNXQCBDIYFGM-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD29011916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.64

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

2.366

Distribution Coefficient, logD

2.366

Water Solubility, LogSw

-2.31

Polar Surface Area

90.809

Acid Dissociation Constant (pKa)

23.37

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

87.00

S428-1285 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S428-1285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S428-1285?
Check Price and Availability of S428-1285, 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 S428-1285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S428-1285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S428-1285
  • 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 S428-1285 available by request