E535-5458 Screening compound: 5-{[(4-chlorophenyl)methanesulfinyl]methyl}-N-[(2-methylphenyl)methyl]furan-2-carboxamide

E535-5458 Screening compound: 5-{[(4-chlorophenyl)methanesulfinyl]methyl}-N-[(2-methylphenyl)methyl]furan-2-carboxamide
E535-5458 Screening compound: 5-{[(4-chlorophenyl)methanesulfinyl]methyl}-N-[(2-methylphenyl)methyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E535-5458
5-{[(4-chlorophenyl)methanesulfinyl]methyl}-N-[(2-methylphenyl)methyl]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

E535-5458

Molecular Formula

C21H20ClNO3S (C21 H20 ClNO3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CNC(c2ccc(CS(Cc(cc3)ccc3Cl)=O)o2)=O)cccc1

InChI

InChI=1S/C21H22ClNO3S/c1-15-4-2-3-5-17(15)12-23-21(24)20-11-10-19(26-20)14-27(25)13-16-6-8-18(22)9-7-16/h2-11H,12-14,27H2,1H3,(H,23,24)

InChI Key

GBKUSOPOSJVKAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14896880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.341

Distribution Coefficient, logD

4.341

Water Solubility, LogSw

-4.60

Polar Surface Area

47.266

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

-3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E535-5458 in Drug Discovery

Included in Screening Libraries

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 E535-5458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E535-5458?
Check Price and Availability of E535-5458, 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 E535-5458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E535-5458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E535-5458
  • 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 E535-5458 available by request