Y040-5947 Screening compound: 4-(4-benzylpiperidine-1-carbonyl)-2-(pyridin-3-yl)quinoline

Y040-5947 Screening compound: 4-(4-benzylpiperidine-1-carbonyl)-2-(pyridin-3-yl)quinoline
Y040-5947 Screening compound: 4-(4-benzylpiperidine-1-carbonyl)-2-(pyridin-3-yl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5947
4-(4-benzylpiperidine-1-carbonyl)-2-(pyridin-3-yl)quinoline

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

Y040-5947

Molecular Formula

C27H25N3O (C27 H25 N3 O)

Compound Name

4-(4-benzylpiperidine-1-carbonyl)-2-(pyridin-3-yl)quinoline

IUPAC name

4-(4-benzylpiperidine-1-carbonyl)-2-(pyridin-3-yl)quinoline

SMILES

O=C(c1cc(-c2cnccc2)nc2ccccc12)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C27H25N3O/c31-27(30-15-12-21(13-16-30)17-20-7-2-1-3-8-20)24-18-26(22-9-6-14-28-19-22)29-25-11-5-4-10-23(24)25/h1-11,14,18-19,21H,12-13,15-17H2

InChI Key

IOVUCRYXCCQPMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08491104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.273

Distribution Coefficient, logD

5.263

Water Solubility, LogSw

-5.77

Polar Surface Area

34.192

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

Y040-5947 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y040-5947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5947?
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What is the minimum amount of Y040-5947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5947
  • 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 Y040-5947 available by request