S055-1219 Screening compound: N-[(2-ethoxypyridin-3-yl)methyl]-N-methyl-1-phenylmethanesulfonamide

S055-1219 Screening compound: N-[(2-ethoxypyridin-3-yl)methyl]-N-methyl-1-phenylmethanesulfonamide
S055-1219 Screening compound: N-[(2-ethoxypyridin-3-yl)methyl]-N-methyl-1-phenylmethanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S055-1219
N-[(2-ethoxypyridin-3-yl)methyl]-N-methyl-1-phenylmethanesulfonamide

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

S055-1219

Molecular Formula

C16H20N2O3S (C16 H20 N2 O3 S)

Compound Name

N-[(2-ethoxypyridin-3-yl)methyl]-N-methyl-1-phenylmethanesulfonamide

IUPAC name

N-[(2-ethoxypyridin-3-yl)methyl]-N-methyl-1-phenylmethanesulfonamide

SMILES

CCOc1c(CN(C)S(Cc2ccccc2)(=O)=O)cccn1

InChI

InChI=1S/C16H20N2O3S/c1-3-21-16-15(10-7-11-17-16)12-18(2)22(19,20)13-14-8-5-4-6-9-14/h4-11H,3,12-13H2,1-2H3

InChI Key

VSVIORCTTZBSAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29030659

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

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.724

Distribution Coefficient, logD

2.724

Water Solubility, LogSw

-2.91

Polar Surface Area

49.626

Acid Dissociation Constant (pKa)

19.99

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

S055-1219 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with S055-1219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S055-1219?
Check Price and Availability of S055-1219, 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 S055-1219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S055-1219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S055-1219
  • 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 S055-1219 available by request