4130-3216 Screening compound: 1-phenyl-N-[(pyridin-3-yl)methyl]methanesulfonamide

4130-3216 Screening compound: 1-phenyl-N-[(pyridin-3-yl)methyl]methanesulfonamide
4130-3216 Screening compound: 1-phenyl-N-[(pyridin-3-yl)methyl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-3216
1-phenyl-N-[(pyridin-3-yl)methyl]methanesulfonamide

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

4130-3216

Molecular Formula

C13H14N2O2S (C13 H14 N2 O2 S)

Compound Name

1-phenyl-N-[(pyridin-3-yl)methyl]methanesulfonamide

IUPAC name

1-phenyl-N-[(pyridin-3-yl)methyl]methanesulfonamide

SMILES

O=S(Cc1ccccc1)(NCc1cnccc1)=O

InChI

InChI=1S/C13H14N2O2S/c16-18(17,11-12-5-2-1-3-6-12)15-10-13-7-4-8-14-9-13/h1-9,15H,10-11H2

InChI Key

NHIJVYDDVYIZMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01214373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.313

Distribution Coefficient, logD

1.312

Water Solubility, LogSw

-1.67

Polar Surface Area

53.142

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

4130-3216 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4130-3216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-3216?
Check Price and Availability of 4130-3216, 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 4130-3216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-3216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-3216
  • 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 4130-3216 available by request