E535-3059 Screening compound: 5-[(4-chlorobenzenesulfinyl)methyl]-N-[3-(piperidin-1-yl)propyl]furan-2-carboxamide

E535-3059 Screening compound: 5-[(4-chlorobenzenesulfinyl)methyl]-N-[3-(piperidin-1-yl)propyl]furan-2-carboxamide
E535-3059 Screening compound: 5-[(4-chlorobenzenesulfinyl)methyl]-N-[3-(piperidin-1-yl)propyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E535-3059
5-[(4-chlorobenzenesulfinyl)methyl]-N-[3-(piperidin-1-yl)propyl]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

E535-3059

Molecular Formula

C20H25ClN2O3S (C20 H25 ClN2 O3 S)

Compound Name

5-[(4-chlorobenzenesulfinyl)methyl]-N-[3-(piperidin-1-yl)propyl]furan-2-carboxamide

IUPAC name

5-[(4-chlorobenzenesulfinyl)methyl]-N-[3-(piperidin-1-yl)propyl]furan-2-carboxamide

SMILES

O=C(c1ccc(CS(c(cc2)ccc2Cl)=O)o1)NCCCN1CCCCC1

InChI

InChI=1S/C20H27ClN2O3S/c21-16-5-8-18(9-6-16)27(25)15-17-7-10-19(26-17)20(24)22-11-4-14-23-12-2-1-3-13-23/h5-10H,1-4,11-15,27H2,(H,22,24)

InChI Key

DLCGZAFBXUCGKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14896671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.95

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

3.188

Distribution Coefficient, logD

0.592

Water Solubility, LogSw

-3.74

Polar Surface Area

51.458

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

E535-3059 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 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
  • Pool

References: we are preparing a list of scientific research reports with E535-3059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E535-3059?
Check Price and Availability of E535-3059, 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 E535-3059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E535-3059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E535-3059
  • 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 E535-3059 available by request