H025-0441C Screening compound: 1-[5-(benzenesulfinyl)pyridine-2-carbonyl]piperazine

H025-0441C Screening compound: 1-[5-(benzenesulfinyl)pyridine-2-carbonyl]piperazine
H025-0441C Screening compound: 1-[5-(benzenesulfinyl)pyridine-2-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0441C
1-[5-(benzenesulfinyl)pyridine-2-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

H025-0441C

Molecular Formula

C16H17N3O2S (C16 H17 N3 O2 S)

Compound Name

1-[5-(benzenesulfinyl)pyridine-2-carbonyl]piperazine

IUPAC name

1-[5-(benzenesulfinyl)pyridine-2-carbonyl]piperazine

SMILES

O=C(c(cc1)ncc1S(c1ccccc1)=O)N1CCNCC1

InChI

InChI=1S/C16H19N3O2S/c20-16(19-10-8-17-9-11-19)15-7-6-14(12-18-15)22(21)13-4-2-1-3-5-13/h1-7,12,17H,8-11,22H2

InChI Key

AYTKUFMDOZLSIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214613

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

315.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.500

Distribution Coefficient, logD

-0.063

Water Solubility, LogSw

-2.29

Polar Surface Area

53.493

Acid Dissociation Constant (pKa)

26.95

Base Dissociation Constant (pKb)

7.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

H025-0441C in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with H025-0441C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0441C?
Check Price and Availability of H025-0441C, 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 H025-0441C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0441C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0441C
  • 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 H025-0441C available by request