Y205-6846 Screening compound: 1-{[4-(sec-butyl)phenyl]sulfonyl}-4-[(4-methylphenyl)sulfonyl]piperazine

Y205-6846 Screening compound: 1-{[4-(sec-butyl)phenyl]sulfonyl}-4-[(4-methylphenyl)sulfonyl]piperazine
Y205-6846 Screening compound: 1-{[4-(sec-butyl)phenyl]sulfonyl}-4-[(4-methylphenyl)sulfonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-6846
1-{[4-(sec-butyl)phenyl]sulfonyl}-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

Y205-6846

Molecular Formula

C21H28N2O4S2 (C21 H28 N2 O4 S2)

Compound Name

1-{[4-(sec-butyl)phenyl]sulfonyl}-4-[(4-methylphenyl)sulfonyl]piperazine

IUPAC name

1-[4-(butan-2-yl)benzenesulfonyl]-4-(4-methylbenzenesulfonyl)piperazine

SMILES

CCC(C)c(cc1)ccc1S(N(CC1)CCN1S(c1ccc(C)cc1)(=O)=O)(=O)=O

InChI

InChI=1S/C21H28N2O4S2/c1-4-18(3)19-7-11-21(12-8-19)29(26,27)23-15-13-22(14-16-23)28(24,25)20-9-5-17(2)6-10-20/h5-12,18H,4,13-16H2,1-3H3/t18-/m0/s1

InChI Key

XFICCAXKMBGRPF-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.788

Distribution Coefficient, logD

4.788

Water Solubility, LogSw

-4.44

Polar Surface Area

63.468

Acid Dissociation Constant (pKa)

24.43

Base Dissociation Constant (pKb)

-6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

Y205-6846 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y205-6846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-6846?
Check Price and Availability of Y205-6846, 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 Y205-6846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-6846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-6846
  • 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 Y205-6846 available by request