E535-0916 Screening compound: 1-{5-[(3-chlorobenzenesulfinyl)methyl]furan-2-carbonyl}-4-(pyridin-2-yl)piperazine

E535-0916 Screening compound: 1-{5-[(3-chlorobenzenesulfinyl)methyl]furan-2-carbonyl}-4-(pyridin-2-yl)piperazine
E535-0916 Screening compound: 1-{5-[(3-chlorobenzenesulfinyl)methyl]furan-2-carbonyl}-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E535-0916
1-{5-[(3-chlorobenzenesulfinyl)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

E535-0916

Molecular Formula

C21H20ClN3O3S (C21 H20 ClN3 O3 S)

Compound Name

1-{5-[(3-chlorobenzenesulfinyl)methyl]furan-2-carbonyl}-4-(pyridin-2-yl)piperazine

IUPAC name

1-{5-[(3-chlorobenzenesulfinyl)methyl]furan-2-carbonyl}-4-(pyridin-2-yl)piperazine

SMILES

O=C(c1ccc(CS(c2cccc(Cl)c2)=O)o1)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C21H22ClN3O3S/c22-16-4-3-5-18(14-16)29(27)15-17-7-8-19(28-17)21(26)25-12-10-24(11-13-25)20-6-1-2-9-23-20/h1-9,14H,10-13,15,29H2

InChI Key

VXDMGNBECUTWOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14896431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.93

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

3.783

Distribution Coefficient, logD

3.774

Water Solubility, LogSw

-4.12

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

E535-0916 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with E535-0916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E535-0916?
Check Price and Availability of E535-0916, 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 E535-0916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E535-0916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E535-0916
  • 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 E535-0916 available by request