3395-0013 Screening compound: 1-(4-tert-butylbenzenesulfonyl)-4-phenylpiperazine

3395-0013 Screening compound: 1-(4-tert-butylbenzenesulfonyl)-4-phenylpiperazine
3395-0013 Screening compound: 1-(4-tert-butylbenzenesulfonyl)-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3395-0013
1-(4-tert-butylbenzenesulfonyl)-4-phenylpiperazine

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

3395-0013

Molecular Formula

C20H26N2O2S (C20 H26 N2 O2 S)

Compound Name

1-(4-tert-butylbenzenesulfonyl)-4-phenylpiperazine

IUPAC name

1-(4-tert-butylbenzenesulfonyl)-4-phenylpiperazine

SMILES

CC(C)(C)c(cc1)ccc1S(N(CC1)CCN1c1ccccc1)(=O)=O

InChI

InChI=1S/C20H26N2O2S/c1-20(2,3)17-9-11-19(12-10-17)25(23,24)22-15-13-21(14-16-22)18-7-5-4-6-8-18/h4-12H,13-16H2,1-3H3

InChI Key

KWJFXYKQSGKYFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02029718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.803

Distribution Coefficient, logD

4.803

Water Solubility, LogSw

-4.55

Polar Surface Area

35.210

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

3395-0013 in Drug Discovery

Included in Screening Libraries

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 3395-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3395-0013?
Check Price and Availability of 3395-0013, 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 3395-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3395-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3395-0013
  • 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 3395-0013 available by request