Y040-5799 Screening compound: 4-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazine-1-carbonyl}-2-(pyridin-2-yl)quinoline

Y040-5799 Screening compound: 4-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazine-1-carbonyl}-2-(pyridin-2-yl)quinoline
Y040-5799 Screening compound: 4-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazine-1-carbonyl}-2-(pyridin-2-yl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5799
4-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazine-1-carbonyl}-2-(pyridin-2-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

Y040-5799

Molecular Formula

C28H26N4O (C28 H26 N4 O)

Compound Name

4-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazine-1-carbonyl}-2-(pyridin-2-yl)quinoline

IUPAC name

4-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazine-1-carbonyl}-2-(pyridin-2-yl)quinoline

SMILES

O=C(c1cc(-c2ncccc2)nc2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1

InChI

InChI=1S/C28H26N4O/c33-28(32-19-17-31(18-20-32)16-8-11-22-9-2-1-3-10-22)24-21-27(26-14-6-7-15-29-26)30-25-13-5-4-12-23(24)25/h1-15,21H,16-20H2

InChI Key

HFYVQXXXLDMFAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12215752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.636

Distribution Coefficient, logD

4.634

Water Solubility, LogSw

-4.63

Polar Surface Area

37.513

Acid Dissociation Constant (pKa)

28.17

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.86

Y040-5799 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-5799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5799?
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What is the minimum amount of Y040-5799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5799
  • 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 Y040-5799 available by request