Y200-3498 Screening compound: 1-(4-{4-[4-(butan-2-yl)benzenesulfonyl]piperazin-1-yl}phenyl)ethan-1-one

Y200-3498 Screening compound: 1-(4-{4-[4-(butan-2-yl)benzenesulfonyl]piperazin-1-yl}phenyl)ethan-1-one
Y200-3498 Screening compound: 1-(4-{4-[4-(butan-2-yl)benzenesulfonyl]piperazin-1-yl}phenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-3498
1-(4-{4-[4-(butan-2-yl)benzenesulfonyl]piperazin-1-yl}phenyl)ethan-1-one

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

Y200-3498

Molecular Formula

C22H28N2O3S (C22 H28 N2 O3 S)

Compound Name

1-(4-{4-[4-(butan-2-yl)benzenesulfonyl]piperazin-1-yl}phenyl)ethan-1-one

IUPAC name

1-(4-{4-[4-(butan-2-yl)benzenesulfonyl]piperazin-1-yl}phenyl)ethan-1-one

SMILES

CCC(C)c(cc1)ccc1S(N(CC1)CCN1c(cc1)ccc1C(C)=O)(=O)=O

InChI

InChI=1S/C22H28N2O3S/c1-4-17(2)19-7-11-22(12-8-19)28(26,27)24-15-13-23(14-16-24)21-9-5-20(6-10-21)18(3)25/h5-12,17H,4,13-16H2,1-3H3/t17-/m0/s1

InChI Key

UCXROYUTOBKGIJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD06022603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.54

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

4.600

Distribution Coefficient, logD

4.600

Water Solubility, LogSw

-4.20

Polar Surface Area

49.036

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

Y200-3498 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with Y200-3498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-3498?
Check Price and Availability of Y200-3498, 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 Y200-3498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-3498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-3498
  • 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 Y200-3498 available by request