S055-0046 Screening compound: N-[(2-methoxypyridin-3-yl)methyl]-1H-indole-4-carboxamide

S055-0046 Screening compound: N-[(2-methoxypyridin-3-yl)methyl]-1H-indole-4-carboxamide
S055-0046 Screening compound: N-[(2-methoxypyridin-3-yl)methyl]-1H-indole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S055-0046
N-[(2-methoxypyridin-3-yl)methyl]-1H-indole-4-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

S055-0046

Molecular Formula

C16H15N3O2 (C16 H15 N3 O2)

Compound Name

N-[(2-methoxypyridin-3-yl)methyl]-1H-indole-4-carboxamide

IUPAC name

N-[(2-methoxypyridin-3-yl)methyl]-1H-indole-4-carboxamide

SMILES

COc1c(CNC(c2c(cc[nH]3)c3ccc2)=O)cccn1

InChI

InChI=1S/C16H15N3O2/c1-21-16-11(4-3-8-18-16)10-19-15(20)13-5-2-6-14-12(13)7-9-17-14/h2-9,17H,10H2,1H3,(H,19,20)

InChI Key

ZKBNMWXVQLIWJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29030442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.761

Distribution Coefficient, logD

2.761

Water Solubility, LogSw

-3.19

Polar Surface Area

51.782

Acid Dissociation Constant (pKa)

14.86

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

S055-0046 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S055-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S055-0046?
Check Price and Availability of S055-0046, 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 S055-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S055-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S055-0046
  • 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 S055-0046 available by request