E535-4902 Screening compound: 1-(5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carbonyl)-4-phenylpiperazine

E535-4902 Screening compound: 1-(5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carbonyl)-4-phenylpiperazine
E535-4902 Screening compound: 1-(5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carbonyl)-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E535-4902
1-(5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carbonyl)-4-phenylpiperazine

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

E535-4902

Molecular Formula

C24H26N2O3S (C24 H26 N2 O3 S)

Compound Name

1-(5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carbonyl)-4-phenylpiperazine

IUPAC name

1-(5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carbonyl)-4-phenylpiperazine

SMILES

Cc1ccc(CS(Cc2ccc(C(N(CC3)CCN3c3ccccc3)=O)o2)=O)cc1

InChI

InChI=1S/C24H28N2O3S/c1-19-7-9-20(10-8-19)17-30(28)18-22-11-12-23(29-22)24(27)26-15-13-25(14-16-26)21-5-3-2-4-6-21/h2-12H,13-18,30H2,1H3

InChI Key

CGVXBTAZXSYHBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14896794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.55

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

3.582

Distribution Coefficient, logD

3.582

Water Solubility, LogSw

-3.54

Polar Surface Area

42.761

Acid Dissociation Constant (pKa)

24.28

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

E535-4902 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E535-4902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E535-4902?
Check Price and Availability of E535-4902, 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 E535-4902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E535-4902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E535-4902
  • 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 E535-4902 available by request