Y040-4645 Screening compound: 6,7-dimethoxy-4-methyl-3-(2-oxo-2-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethyl)-2H-chromen-2-one

Y040-4645 Screening compound: 6,7-dimethoxy-4-methyl-3-(2-oxo-2-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethyl)-2H-chromen-2-one
Y040-4645 Screening compound: 6,7-dimethoxy-4-methyl-3-(2-oxo-2-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethyl)-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4645
6,7-dimethoxy-4-methyl-3-(2-oxo-2-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethyl)-2H-chromen-2-one

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

Y040-4645

Molecular Formula

C25H29N3O5 (C25 H29 N3 O5)

Compound Name

6,7-dimethoxy-4-methyl-3-(2-oxo-2-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethyl)-2H-chromen-2-one

IUPAC name

67-dimethoxy-4-methyl-3-(2-oxo-2-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethyl)-2H-chromen-2-one

SMILES

CC(c(cc(c(OC)c1)OC)c1O1)=C(CC(N2CCN(CCc3ncccc3)CC2)=O)C1=O

InChI

InChI=1S/C25H29N3O5/c1-17-19-14-22(31-2)23(32-3)16-21(19)33-25(30)20(17)15-24(29)28-12-10-27(11-13-28)9-7-18-6-4-5-8-26-18/h4-6,8,14,16H,7,9-13,15H2,1-3H3

InChI Key

FCYUUYHGVAWANV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12201936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.105

Distribution Coefficient, logD

2.066

Water Solubility, LogSw

-2.78

Polar Surface Area

65.604

Acid Dissociation Constant (pKa)

22.61

Base Dissociation Constant (pKb)

6.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

Y040-4645 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-4645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4645?
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What is the minimum amount of Y040-4645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4645
  • 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 Y040-4645 available by request