S517-1453 Screening compound: 4-[(4-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]morpholine

S517-1453 Screening compound: 4-[(4-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]morpholine
S517-1453 Screening compound: 4-[(4-{4-[(4-ethyl-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 S517-1453
4-[(4-{4-[(4-ethyl-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

S517-1453

Molecular Formula

C20H34N6O4S (C20 H34 N6 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(CC(CC2)CCN2C(C(CC2)CCN2S(N2CCOCC2)(=O)=O)=O)nnc1

InChI

InChI=1S/C20H34N6O4S/c1-2-23-16-21-22-19(23)15-17-3-7-24(8-4-17)20(27)18-5-9-25(10-6-18)31(28,29)26-11-13-30-14-12-26/h16-18H,2-15H2,1H3

InChI Key

JUMIWRKLLNLNEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31989823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.59

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

-0.042

Distribution Coefficient, logD

-0.046

Water Solubility, LogSw

-1.25

Polar Surface Area

83.969

Acid Dissociation Constant (pKa)

21.12

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

85.00

S517-1453 in Drug Discovery

Included in Screening Libraries

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 S517-1453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S517-1453?
Check Price and Availability of S517-1453, 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 S517-1453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S517-1453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S517-1453
  • 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 S517-1453 available by request