E535-2020 Screening compound: 1-{5-[(2-chlorobenzenesulfinyl)methyl]furan-2-carbonyl}-4-(3-methoxyphenyl)piperazine

E535-2020 Screening compound: 1-{5-[(2-chlorobenzenesulfinyl)methyl]furan-2-carbonyl}-4-(3-methoxyphenyl)piperazine
E535-2020 Screening compound: 1-{5-[(2-chlorobenzenesulfinyl)methyl]furan-2-carbonyl}-4-(3-methoxyphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E535-2020
1-{5-[(2-chlorobenzenesulfinyl)methyl]furan-2-carbonyl}-4-(3-methoxyphenyl)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

E535-2020

Molecular Formula

C23H23ClN2O4S (C23 H23 ClN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(N(CC2)CCN2C(c2ccc(CS(c(cccc3)c3Cl)=O)o2)=O)c1

InChI

InChI=1S/C23H25ClN2O4S/c1-29-18-6-4-5-17(15-18)25-11-13-26(14-12-25)23(27)21-10-9-19(30-21)16-31(28)22-8-3-2-7-20(22)24/h2-10,15H,11-14,16,31H2,1H3

InChI Key

DXUNNBUMMJTRSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14896538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.820

Distribution Coefficient, logD

3.820

Water Solubility, LogSw

-4.19

Polar Surface Area

50.673

Acid Dissociation Constant (pKa)

28.47

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.09

E535-2020 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 E535-2020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E535-2020?
Check Price and Availability of E535-2020, 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 E535-2020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E535-2020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E535-2020
  • 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 E535-2020 available by request