4240-0130 Screening compound: 1-{[4-(methylsulfanyl)phenyl]methyl}-4-(naphthalene-2-sulfonyl)piperazine

4240-0130 Screening compound: 1-{[4-(methylsulfanyl)phenyl]methyl}-4-(naphthalene-2-sulfonyl)piperazine
4240-0130 Screening compound: 1-{[4-(methylsulfanyl)phenyl]methyl}-4-(naphthalene-2-sulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4240-0130
1-{[4-(methylsulfanyl)phenyl]methyl}-4-(naphthalene-2-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

4240-0130

Molecular Formula

C22H24N2O2S2 (C22 H24 N2 O2 S2)

Compound Name

1-{[4-(methylsulfanyl)phenyl]methyl}-4-(naphthalene-2-sulfonyl)piperazine

IUPAC name

1-{[4-(methylsulfanyl)phenyl]methyl}-4-(naphthalene-2-sulfonyl)piperazine

SMILES

CSc1ccc(CN(CC2)CCN2S(c2cc3ccccc3cc2)(=O)=O)cc1

InChI

InChI=1S/C22H24N2O2S2/c1-27-21-9-6-18(7-10-21)17-23-12-14-24(15-13-23)28(25,26)22-11-8-19-4-2-3-5-20(19)16-22/h2-11,16H,12-15,17H2,1H3

InChI Key

IHCBKCRFXDQJTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02816324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.528

Distribution Coefficient, logD

4.524

Water Solubility, LogSw

-4.44

Polar Surface Area

35.218

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

4240-0130 in Drug Discovery

Included in Screening Libraries

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 4240-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4240-0130?
Check Price and Availability of 4240-0130, 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 4240-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4240-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4240-0130
  • 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 4240-0130 available by request