E535-6042 Screening compound: 1-(3-chlorophenyl)-4-(5-{[(2-chlorophenyl)methanesulfinyl]methyl}furan-2-carbonyl)piperazine

E535-6042 Screening compound: 1-(3-chlorophenyl)-4-(5-{[(2-chlorophenyl)methanesulfinyl]methyl}furan-2-carbonyl)piperazine
E535-6042 Screening compound: 1-(3-chlorophenyl)-4-(5-{[(2-chlorophenyl)methanesulfinyl]methyl}furan-2-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E535-6042
1-(3-chlorophenyl)-4-(5-{[(2-chlorophenyl)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

E535-6042

Molecular Formula

C23H22Cl2N2O3S (C23 H22 Cl2 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(CS(Cc(cccc2)c2Cl)=O)o1)N(CC1)CCN1c1cc(Cl)ccc1

InChI

InChI=1S/C23H24Cl2N2O3S/c24-18-5-3-6-19(14-18)26-10-12-27(13-11-26)23(28)22-9-8-20(30-22)16-31(29)15-17-4-1-2-7-21(17)25/h1-9,14H,10-13,15-16,31H2

InChI Key

NCVSINLZUJMNBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14896888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.41

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

4.787

Distribution Coefficient, logD

4.787

Water Solubility, LogSw

-4.93

Polar Surface Area

42.761

Acid Dissociation Constant (pKa)

24.28

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E535-6042 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 E535-6042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E535-6042?
Check Price and Availability of E535-6042, 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 E535-6042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E535-6042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E535-6042
  • 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 E535-6042 available by request