3706-1104 Screening compound: 1-methanesulfonyl-4-(2-methoxyphenyl)piperazine

3706-1104 Screening compound: 1-methanesulfonyl-4-(2-methoxyphenyl)piperazine
3706-1104 Screening compound: 1-methanesulfonyl-4-(2-methoxyphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3706-1104
1-methanesulfonyl-4-(2-methoxyphenyl)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

3706-1104

Molecular Formula

C12H18N2O3S (C12 H18 N2 O3 S)

Compound Name

1-methanesulfonyl-4-(2-methoxyphenyl)piperazine

IUPAC name

1-methanesulfonyl-4-(2-methoxyphenyl)piperazine

SMILES

COc(cccc1)c1N(CC1)CCN1S(C)(=O)=O

InChI

InChI=1S/C12H18N2O3S/c1-17-12-6-4-3-5-11(12)13-7-9-14(10-8-13)18(2,15)16/h3-6H,7-10H2,1-2H3

InChI Key

ZSDICOSZAXJKDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00583333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.324

Distribution Coefficient, logD

1.324

Water Solubility, LogSw

-2.08

Polar Surface Area

42.303

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

3706-1104 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Selective Target Activity Profiling Library (14702 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
  • Fragments
Therapeutical areas:
  • Nervous system
  • Cardiovascular

References: we are preparing a list of scientific research reports with 3706-1104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3706-1104?
Check Price and Availability of 3706-1104, 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 3706-1104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3706-1104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3706-1104
  • 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 3706-1104 available by request