E535-5436 Screening compound: 5-{[(4-chlorophenyl)methanesulfinyl]methyl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}furan-2-carboxamide

E535-5436 Screening compound: 5-{[(4-chlorophenyl)methanesulfinyl]methyl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}furan-2-carboxamide
E535-5436 Screening compound: 5-{[(4-chlorophenyl)methanesulfinyl]methyl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E535-5436
5-{[(4-chlorophenyl)methanesulfinyl]methyl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}furan-2-carboxamide

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

E535-5436

Molecular Formula

C22H22ClNO3S2 (C22 H22 ClNO3 S2)

Compound Name

5-{[(4-chlorophenyl)methanesulfinyl]methyl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}furan-2-carboxamide

IUPAC name

5-{[(4-chlorophenyl)methanesulfinyl]methyl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}furan-2-carboxamide

SMILES

CSc1ccc(CCNC(c2ccc(CS(Cc(cc3)ccc3Cl)=O)o2)=O)cc1

InChI

InChI=1S/C22H24ClNO3S2/c1-28-20-9-4-16(5-10-20)12-13-24-22(25)21-11-8-19(27-21)15-29(26)14-17-2-6-18(23)7-3-17/h2-11H,12-15,29H2,1H3,(H,24,25)

InChI Key

OSIWAORAPTWPQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14896876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.106

Distribution Coefficient, logD

4.106

Water Solubility, LogSw

-4.45

Polar Surface Area

47.107

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

E535-5436 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 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 E535-5436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E535-5436?
Check Price and Availability of E535-5436, 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 E535-5436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E535-5436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E535-5436
  • 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 E535-5436 available by request