S055-1019 Screening compound: N-[(2-ethoxypyridin-3-yl)methyl]-N-methyl-2H-1,3-benzodioxole-5-carboxamide

S055-1019 Screening compound: N-[(2-ethoxypyridin-3-yl)methyl]-N-methyl-2H-1,3-benzodioxole-5-carboxamide
S055-1019 Screening compound: N-[(2-ethoxypyridin-3-yl)methyl]-N-methyl-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S055-1019
N-[(2-ethoxypyridin-3-yl)methyl]-N-methyl-2H-1,3-benzodioxole-5-carboxamide

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

S055-1019

Molecular Formula

C17H18N2O4 (C17 H18 N2 O4)

Compound Name

N-[(2-ethoxypyridin-3-yl)methyl]-N-methyl-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-[(2-ethoxypyridin-3-yl)methyl]-N-methyl-2H-13-benzodioxole-5-carboxamide

SMILES

CCOc1c(CN(C)C(c(cc2)cc3c2OCO3)=O)cccn1

InChI

InChI=1S/C17H18N2O4/c1-3-21-16-13(5-4-8-18-16)10-19(2)17(20)12-6-7-14-15(9-12)23-11-22-14/h4-9H,3,10-11H2,1-2H3

InChI Key

DRIZWUHLXSONCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29030490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.645

Distribution Coefficient, logD

2.645

Water Solubility, LogSw

-2.76

Polar Surface Area

50.433

Acid Dissociation Constant (pKa)

24.68

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

S055-1019 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with S055-1019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S055-1019?
Check Price and Availability of S055-1019, 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 S055-1019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S055-1019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S055-1019
  • 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 S055-1019 available by request