S517-1359 Screening compound: 4-{[4-(4-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)piperidin-1-yl]sulfonyl}morpholine

S517-1359 Screening compound: 4-{[4-(4-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)piperidin-1-yl]sulfonyl}morpholine
S517-1359 Screening compound: 4-{[4-(4-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)piperidin-1-yl]sulfonyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound S517-1359
4-{[4-(4-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)piperidin-1-yl]sulfonyl}morpholine

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

S517-1359

Molecular Formula

C21H36N6O4S (C21 H36 N6 O4 S)

Compound Name

4-{[4-(4-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)piperidin-1-yl]sulfonyl}morpholine

IUPAC name

4-{[4-(4-{[4-(propan-2-yl)-4H-124-triazol-3-yl]methyl}piperidine-1-carbonyl)piperidin-1-yl]sulfonyl}morpholine

SMILES

CC(C)n1c(CC(CC2)CCN2C(C(CC2)CCN2S(N2CCOCC2)(=O)=O)=O)nnc1

InChI

InChI=1S/C21H36N6O4S/c1-17(2)27-16-22-23-20(27)15-18-3-7-24(8-4-18)21(28)19-5-9-25(10-6-19)32(29,30)26-11-13-31-14-12-26/h16-19H,3-15H2,1-2H3

InChI Key

PGGUUMGBHBNHOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31961813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.553

Distribution Coefficient, logD

0.540

Water Solubility, LogSw

-1.32

Polar Surface Area

85.036

Acid Dissociation Constant (pKa)

18.76

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

85.71

S517-1359 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 S517-1359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S517-1359?
Check Price and Availability of S517-1359, 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 S517-1359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S517-1359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S517-1359
  • 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 S517-1359 available by request