Y040-5694 Screening compound: 2-(3,4-dimethoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)quinoline

Y040-5694 Screening compound: 2-(3,4-dimethoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)quinoline
Y040-5694 Screening compound: 2-(3,4-dimethoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5694
2-(3,4-dimethoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)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

Y040-5694

Molecular Formula

C28H27N3O3 (C28 H27 N3 O3)

Compound Name

2-(3,4-dimethoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)quinoline

IUPAC name

2-(34-dimethoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)quinoline

SMILES

COc(ccc(-c1nc2ccccc2c(C(N(CC2)CCN2c2ccccc2)=O)c1)c1)c1OC

InChI

InChI=1S/C28H27N3O3/c1-33-26-13-12-20(18-27(26)34-2)25-19-23(22-10-6-7-11-24(22)29-25)28(32)31-16-14-30(15-17-31)21-8-4-3-5-9-21/h3-13,18-19H,14-17H2,1-2H3

InChI Key

YRIIYANKFFABBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03378592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.917

Distribution Coefficient, logD

4.913

Water Solubility, LogSw

-4.87

Polar Surface Area

43.467

Acid Dissociation Constant (pKa)

28.27

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

Y040-5694 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-5694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5694?
Check Price and Availability of Y040-5694, 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 Y040-5694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5694
  • 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 Y040-5694 available by request