S056-0070 Screening compound: 6-{4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carbonyl}-1H-indole

S056-0070 Screening compound: 6-{4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carbonyl}-1H-indole
S056-0070 Screening compound: 6-{4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carbonyl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S056-0070
6-{4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carbonyl}-1H-indole

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

S056-0070

Molecular Formula

C20H22N4O2 (C20 H22 N4 O2)

Compound Name

6-{4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carbonyl}-1H-indole

IUPAC name

6-{4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carbonyl}-1H-indole

SMILES

COc1ncc(CN(CC2)CCN2C(c2cc([nH]cc3)c3cc2)=O)cc1

InChI

InChI=1S/C20H22N4O2/c1-26-19-5-2-15(13-22-19)14-23-8-10-24(11-9-23)20(25)17-4-3-16-6-7-21-18(16)12-17/h2-7,12-13,21H,8-11,14H2,1H3

InChI Key

USXATRQZEVHFBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29030633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.950

Distribution Coefficient, logD

1.948

Water Solubility, LogSw

-2.75

Polar Surface Area

46.790

Acid Dissociation Constant (pKa)

17.71

Base Dissociation Constant (pKb)

5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

S056-0070 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

SmartTM Library (51161 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S056-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S056-0070?
Check Price and Availability of S056-0070, 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 S056-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S056-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S056-0070
  • 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 S056-0070 available by request