Y205-5517 Screening compound: 1-(3-chloro-4-fluorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine

Y205-5517 Screening compound: 1-(3-chloro-4-fluorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
Y205-5517 Screening compound: 1-(3-chloro-4-fluorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-5517
1-(3-chloro-4-fluorobenzyl)-4-[(4-methylphenyl)sulfonyl]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

Y205-5517

Molecular Formula

C18H20ClFN2O2S (C18 H20 ClFN2 O2 S)

Compound Name

1-(3-chloro-4-fluorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine

IUPAC name

1-[(3-chloro-4-fluorophenyl)methyl]-4-(4-methylbenzenesulfonyl)piperazine

SMILES

Cc(cc1)ccc1S(N1CCN(Cc(cc2)cc(Cl)c2F)CC1)(=O)=O

InChI

InChI=1S/C18H20ClFN2O2S/c1-14-2-5-16(6-3-14)25(23,24)22-10-8-21(9-11-22)13-15-4-7-18(20)17(19)12-15/h2-7,12H,8-11,13H2,1H3

InChI Key

FXNKCVUIFUXSKC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.686

Distribution Coefficient, logD

3.685

Water Solubility, LogSw

-3.90

Polar Surface Area

35.490

Acid Dissociation Constant (pKa)

28.08

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

Y205-5517 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y205-5517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-5517?
Check Price and Availability of Y205-5517, 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 Y205-5517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-5517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-5517
  • 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 Y205-5517 available by request