E535-4899 Screening compound: 1-(3-methoxyphenyl)-4-(5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carbonyl)piperazine

E535-4899 Screening compound: 1-(3-methoxyphenyl)-4-(5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carbonyl)piperazine
E535-4899 Screening compound: 1-(3-methoxyphenyl)-4-(5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E535-4899
1-(3-methoxyphenyl)-4-(5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-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

E535-4899

Molecular Formula

C25H28N2O4S (C25 H28 N2 O4 S)

Compound Name

1-(3-methoxyphenyl)-4-(5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carbonyl)piperazine

IUPAC name

1-(3-methoxyphenyl)-4-(5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carbonyl)piperazine

SMILES

Cc1ccc(CS(Cc2ccc(C(N(CC3)CCN3c3cc(OC)ccc3)=O)o2)=O)cc1

InChI

InChI=1S/C25H30N2O4S/c1-19-6-8-20(9-7-19)17-32(29)18-23-10-11-24(31-23)25(28)27-14-12-26(13-15-27)21-4-3-5-22(16-21)30-2/h3-11,16H,12-15,17-18,32H2,1-2H3

InChI Key

LZLUEDAYQUHONV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14896793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.690

Distribution Coefficient, logD

3.690

Water Solubility, LogSw

-3.89

Polar Surface Area

50.305

Acid Dissociation Constant (pKa)

24.28

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

E535-4899 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 E535-4899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E535-4899?
Check Price and Availability of E535-4899, 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 E535-4899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E535-4899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E535-4899
  • 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 E535-4899 available by request