Y200-5558 Screening compound: 4-({4-[(3-chlorophenyl)methyl]piperazin-1-yl}sulfonyl)-2,1,3-benzoxadiazole

Y200-5558 Screening compound: 4-({4-[(3-chlorophenyl)methyl]piperazin-1-yl}sulfonyl)-2,1,3-benzoxadiazole
Y200-5558 Screening compound: 4-({4-[(3-chlorophenyl)methyl]piperazin-1-yl}sulfonyl)-2,1,3-benzoxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-5558
4-({4-[(3-chlorophenyl)methyl]piperazin-1-yl}sulfonyl)-2,1,3-benzoxadiazole

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

Y200-5558

Molecular Formula

C17H17ClN4O3S (C17 H17 ClN4 O3 S)

Compound Name

4-({4-[(3-chlorophenyl)methyl]piperazin-1-yl}sulfonyl)-2,1,3-benzoxadiazole

IUPAC name

4-({4-[(3-chlorophenyl)methyl]piperazin-1-yl}sulfonyl)-213-benzoxadiazole

SMILES

O=S(c1cccc2nonc12)(N1CCN(Cc2cccc(Cl)c2)CC1)=O

InChI

InChI=1S/C17H17ClN4O3S/c18-14-4-1-3-13(11-14)12-21-7-9-22(10-8-21)26(23,24)16-6-2-5-15-17(16)20-25-19-15/h1-6,11H,7-10,12H2

InChI Key

BHOFJSRTBSEQAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06062421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.288

Distribution Coefficient, logD

3.285

Water Solubility, LogSw

-3.50

Polar Surface Area

71.580

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

Y200-5558 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y200-5558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-5558?
Check Price and Availability of Y200-5558, 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 Y200-5558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-5558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-5558
  • 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 Y200-5558 available by request