E535-5222 Screening compound: 1-(5-{[(4-chlorophenyl)methanesulfinyl]methyl}furan-2-carbonyl)-4-(4-fluorophenyl)piperazine

E535-5222 Screening compound: 1-(5-{[(4-chlorophenyl)methanesulfinyl]methyl}furan-2-carbonyl)-4-(4-fluorophenyl)piperazine
E535-5222 Screening compound: 1-(5-{[(4-chlorophenyl)methanesulfinyl]methyl}furan-2-carbonyl)-4-(4-fluorophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E535-5222
1-(5-{[(4-chlorophenyl)methanesulfinyl]methyl}furan-2-carbonyl)-4-(4-fluorophenyl)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

E535-5222

Molecular Formula

C23H22ClFN2O3S (C23 H22 ClFN2 O3 S)

Compound Name

1-(5-{[(4-chlorophenyl)methanesulfinyl]methyl}furan-2-carbonyl)-4-(4-fluorophenyl)piperazine

IUPAC name

1-(5-{[(4-chlorophenyl)methanesulfinyl]methyl}furan-2-carbonyl)-4-(4-fluorophenyl)piperazine

SMILES

O=C(c1ccc(CS(Cc(cc2)ccc2Cl)=O)o1)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C23H24ClFN2O3S/c24-18-3-1-17(2-4-18)15-31(29)16-21-9-10-22(30-21)23(28)27-13-11-26(12-14-27)20-7-5-19(25)6-8-20/h1-10H,11-16,31H2

InChI Key

XGSSDNPPNMFZPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14896846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.904

Distribution Coefficient, logD

3.904

Water Solubility, LogSw

-4.44

Polar Surface Area

42.761

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E535-5222 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E535-5222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E535-5222?
Check Price and Availability of E535-5222, 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 E535-5222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E535-5222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E535-5222
  • 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 E535-5222 available by request