Y040-5855 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-4-yl)quinoline-4-carboxamide

Y040-5855 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-4-yl)quinoline-4-carboxamide
Y040-5855 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-4-yl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5855
N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-4-yl)quinoline-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

Y040-5855

Molecular Formula

C25H20N4O (C25 H20 N4 O)

Compound Name

N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-4-yl)quinoline-4-carboxamide

IUPAC name

N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-4-yl)quinoline-4-carboxamide

SMILES

O=C(c1cc(-c2ccncc2)nc2ccccc12)NCCc1c[nH]c2c1cccc2

InChI

InChI=1S/C25H20N4O/c30-25(27-14-11-18-16-28-22-7-3-1-5-19(18)22)21-15-24(17-9-12-26-13-10-17)29-23-8-4-2-6-20(21)23/h1-10,12-13,15-16,28H,11,14H2,(H,27,30)

InChI Key

ITBGVAOKFFAONE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12029907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.555

Distribution Coefficient, logD

4.554

Water Solubility, LogSw

-4.38

Polar Surface Area

51.851

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

Y040-5855 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y040-5855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5855?
Check Price and Availability of Y040-5855, 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 Y040-5855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5855
  • 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 Y040-5855 available by request