S055-0068 Screening compound: 3-(1H-indol-3-yl)-N-[(2-methoxypyridin-3-yl)methyl]propanamide

S055-0068 Screening compound: 3-(1H-indol-3-yl)-N-[(2-methoxypyridin-3-yl)methyl]propanamide
S055-0068 Screening compound: 3-(1H-indol-3-yl)-N-[(2-methoxypyridin-3-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S055-0068
3-(1H-indol-3-yl)-N-[(2-methoxypyridin-3-yl)methyl]propanamide

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

S055-0068

Molecular Formula

C18H19N3O2 (C18 H19 N3 O2)

Compound Name

3-(1H-indol-3-yl)-N-[(2-methoxypyridin-3-yl)methyl]propanamide

IUPAC name

3-(1H-indol-3-yl)-N-[(2-methoxypyridin-3-yl)methyl]propanamide

SMILES

COc1c(CNC(CCc2c[nH]c3c2cccc3)=O)cccn1

InChI

InChI=1S/C18H19N3O2/c1-23-18-14(5-4-10-19-18)12-21-17(22)9-8-13-11-20-16-7-3-2-6-15(13)16/h2-7,10-11,20H,8-9,12H2,1H3,(H,21,22)

InChI Key

GPNWFUSQIXLEJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15826212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.934

Distribution Coefficient, logD

2.934

Water Solubility, LogSw

-3.05

Polar Surface Area

51.658

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

S055-0068 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S055-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S055-0068?
Check Price and Availability of S055-0068, 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 S055-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S055-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S055-0068
  • 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 S055-0068 available by request