4092-0207 Screening compound: 3-methyl-1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]butan-1-one

4092-0207 Screening compound: 3-methyl-1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]butan-1-one
4092-0207 Screening compound: 3-methyl-1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4092-0207
3-methyl-1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]butan-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

4092-0207

Molecular Formula

C16H24N2O3S (C16 H24 N2 O3 S)

Compound Name

3-methyl-1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]butan-1-one

IUPAC name

3-methyl-1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]butan-1-one

SMILES

CC(C)CC(N(CC1)CCN1S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C16H24N2O3S/c1-13(2)12-16(19)17-8-10-18(11-9-17)22(20,21)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3

InChI Key

LOWXKVGPKJYSOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02374637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.549

Distribution Coefficient, logD

2.549

Water Solubility, LogSw

-2.71

Polar Surface Area

48.150

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

4092-0207 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4092-0207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4092-0207?
Check Price and Availability of 4092-0207, 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 4092-0207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4092-0207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4092-0207
  • 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 4092-0207 available by request