5582-0114 Screening compound: 1-(4-methylbenzenesulfonyl)-4-(piperidine-1-carbonyl)piperazine

5582-0114 Screening compound: 1-(4-methylbenzenesulfonyl)-4-(piperidine-1-carbonyl)piperazine
5582-0114 Screening compound: 1-(4-methylbenzenesulfonyl)-4-(piperidine-1-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5582-0114
1-(4-methylbenzenesulfonyl)-4-(piperidine-1-carbonyl)piperazine

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

5582-0114

Molecular Formula

C17H25N3O3S (C17 H25 N3 O3 S)

Compound Name

1-(4-methylbenzenesulfonyl)-4-(piperidine-1-carbonyl)piperazine

IUPAC name

1-(4-methylbenzenesulfonyl)-4-(piperidine-1-carbonyl)piperazine

SMILES

Cc(cc1)ccc1S(N(CC1)CCN1C(N1CCCCC1)=O)(=O)=O

InChI

InChI=1S/C17H25N3O3S/c1-15-5-7-16(8-6-15)24(22,23)20-13-11-19(12-14-20)17(21)18-9-3-2-4-10-18/h5-8H,2-4,9-14H2,1H3

InChI Key

XTUGUVJWCYBOLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03352182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.659

Distribution Coefficient, logD

2.659

Water Solubility, LogSw

-2.97

Polar Surface Area

50.211

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

5582-0114 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5582-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5582-0114?
Check Price and Availability of 5582-0114, 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 5582-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5582-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5582-0114
  • 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 5582-0114 available by request