C520-0021 Screening compound: 1-{5-[(benzenesulfinyl)methyl]furan-2-carbonyl}-4-(pyridin-2-yl)piperazine

C520-0021 Screening compound: 1-{5-[(benzenesulfinyl)methyl]furan-2-carbonyl}-4-(pyridin-2-yl)piperazine
C520-0021 Screening compound: 1-{5-[(benzenesulfinyl)methyl]furan-2-carbonyl}-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C520-0021
1-{5-[(benzenesulfinyl)methyl]furan-2-carbonyl}-4-(pyridin-2-yl)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

C520-0021

Molecular Formula

C21H21N3O3S (C21 H21 N3 O3 S)

Compound Name

1-{5-[(benzenesulfinyl)methyl]furan-2-carbonyl}-4-(pyridin-2-yl)piperazine

IUPAC name

1-{5-[(benzenesulfinyl)methyl]furan-2-carbonyl}-4-(pyridin-2-yl)piperazine

SMILES

O=C(c1ccc(CS(c2ccccc2)=O)o1)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C21H23N3O3S/c25-21(24-14-12-23(13-15-24)20-8-4-5-11-22-20)19-10-9-17(27-19)16-28(26)18-6-2-1-3-7-18/h1-11H,12-16,28H2

InChI Key

GTEPVBUPLFRGDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.074

Distribution Coefficient, logD

3.065

Water Solubility, LogSw

-3.26

Polar Surface Area

51.640

Acid Dissociation Constant (pKa)

24.77

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C520-0021 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C520-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C520-0021?
Check Price and Availability of C520-0021, 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 C520-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C520-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C520-0021
  • 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 C520-0021 available by request