E535-3129 Screening compound: 5-[(4-chlorobenzenesulfinyl)methyl]-N-[(2-ethoxyphenyl)methyl]furan-2-carboxamide

E535-3129 Screening compound: 5-[(4-chlorobenzenesulfinyl)methyl]-N-[(2-ethoxyphenyl)methyl]furan-2-carboxamide
E535-3129 Screening compound: 5-[(4-chlorobenzenesulfinyl)methyl]-N-[(2-ethoxyphenyl)methyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E535-3129
5-[(4-chlorobenzenesulfinyl)methyl]-N-[(2-ethoxyphenyl)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

E535-3129

Molecular Formula

C21H20ClNO4S (C21 H20 ClNO4 S)

Compound Name

5-[(4-chlorobenzenesulfinyl)methyl]-N-[(2-ethoxyphenyl)methyl]furan-2-carboxamide

IUPAC name

5-[(4-chlorobenzenesulfinyl)methyl]-N-[(2-ethoxyphenyl)methyl]furan-2-carboxamide

SMILES

CCOc1c(CNC(c2ccc(CS(c(cc3)ccc3Cl)=O)o2)=O)cccc1

InChI

InChI=1S/C21H22ClNO4S/c1-2-26-19-6-4-3-5-15(19)13-23-21(24)20-12-9-17(27-20)14-28(25)18-10-7-16(22)8-11-18/h3-12H,2,13-14,28H2,1H3,(H,23,24)

InChI Key

OKDAFOIQXZTUFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14896687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.495

Distribution Coefficient, logD

4.495

Water Solubility, LogSw

-4.63

Polar Surface Area

54.844

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with E535-3129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E535-3129?
Check Price and Availability of E535-3129, 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 E535-3129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E535-3129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E535-3129
  • 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 E535-3129 available by request