Y040-5810 Screening compound: N-cycloheptyl-2-(pyridin-4-yl)quinoline-4-carboxamide

Y040-5810 Screening compound: N-cycloheptyl-2-(pyridin-4-yl)quinoline-4-carboxamide
Y040-5810 Screening compound: N-cycloheptyl-2-(pyridin-4-yl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5810
N-cycloheptyl-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

Y040-5810

Molecular Formula

C22H23N3O (C22 H23 N3 O)

Compound Name

N-cycloheptyl-2-(pyridin-4-yl)quinoline-4-carboxamide

IUPAC name

N-cycloheptyl-2-(pyridin-4-yl)quinoline-4-carboxamide

SMILES

O=C(c1cc(-c2ccncc2)nc2ccccc12)NC1CCCCCC1

InChI

InChI=1S/C22H23N3O/c26-22(24-17-7-3-1-2-4-8-17)19-15-21(16-11-13-23-14-12-16)25-20-10-6-5-9-18(19)20/h5-6,9-15,17H,1-4,7-8H2,(H,24,26)

InChI Key

QWPUTTSAOUKDGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06328267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.109

Distribution Coefficient, logD

5.108

Water Solubility, LogSw

-5.48

Polar Surface Area

42.195

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

Y040-5810 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-5810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5810?
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What is the minimum amount of Y040-5810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5810
  • 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 Y040-5810 available by request