4314-0002 Screening compound: 1-[(4-methoxynaphthalen-1-yl)sulfonyl]-4-methylpiperazine

4314-0002 Screening compound: 1-[(4-methoxynaphthalen-1-yl)sulfonyl]-4-methylpiperazine
4314-0002 Screening compound: 1-[(4-methoxynaphthalen-1-yl)sulfonyl]-4-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4314-0002
1-[(4-methoxynaphthalen-1-yl)sulfonyl]-4-methylpiperazine

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

4314-0002

Molecular Formula

C16H20N2O3S (C16 H20 N2 O3 S)

Compound Name

1-[(4-methoxynaphthalen-1-yl)sulfonyl]-4-methylpiperazine

IUPAC name

1-[(4-methoxynaphthalen-1-yl)sulfonyl]-4-methylpiperazine

SMILES

CN(CC1)CCN1S(c(c1ccccc11)ccc1OC)(=O)=O

InChI

InChI=1S/C16H20N2O3S/c1-17-9-11-18(12-10-17)22(19,20)16-8-7-15(21-2)13-5-3-4-6-14(13)16/h3-8H,9-12H2,1-2H3

InChI Key

AWNUQFSUQMLYIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02227905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.111

Distribution Coefficient, logD

2.048

Water Solubility, LogSw

-2.49

Polar Surface Area

42.785

Acid Dissociation Constant (pKa)

27.73

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

4314-0002 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 4314-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4314-0002?
Check Price and Availability of 4314-0002, 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 4314-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4314-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4314-0002
  • 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 4314-0002 available by request