E535-4060 Screening compound: 1'-{5-[(4-fluorobenzenesulfinyl)methyl]furan-2-carbonyl}-1,4'-bipiperidine

E535-4060 Screening compound: 1'-{5-[(4-fluorobenzenesulfinyl)methyl]furan-2-carbonyl}-1,4'-bipiperidine
E535-4060 Screening compound: 1'-{5-[(4-fluorobenzenesulfinyl)methyl]furan-2-carbonyl}-1,4'-bipiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound E535-4060
1'-{5-[(4-fluorobenzenesulfinyl)methyl]furan-2-carbonyl}-1,4'-bipiperidine

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

E535-4060

Molecular Formula

C22H27FN2O3S (C22 H27 FN2 O3 S)

Compound Name

1'-{5-[(4-fluorobenzenesulfinyl)methyl]furan-2-carbonyl}-1,4'-bipiperidine

IUPAC name

1'-{5-[(4-fluorobenzenesulfinyl)methyl]furan-2-carbonyl}-14'-bipiperidine

SMILES

O=C(c1ccc(CS(c(cc2)ccc2F)=O)o1)N(CC1)CCC1N1CCCCC1

InChI

InChI=1S/C22H29FN2O3S/c23-17-4-7-20(8-5-17)29(27)16-19-6-9-21(28-19)22(26)25-14-10-18(11-15-25)24-12-2-1-3-13-24/h4-9,18H,1-3,10-16,29H2

InChI Key

JZAILAGRMKFTJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14896756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.334

Distribution Coefficient, logD

-0.106

Water Solubility, LogSw

-3.64

Polar Surface Area

42.962

Acid Dissociation Constant (pKa)

27.98

Base Dissociation Constant (pKb)

10.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E535-4060 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E535-4060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E535-4060?
Check Price and Availability of E535-4060, 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 E535-4060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E535-4060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E535-4060
  • 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 E535-4060 available by request