Y040-0028 Screening compound: 4,8-dimethyl-3-{2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl}-2-oxo-2H-chromen-7-yl acetate

Y040-0028 Screening compound: 4,8-dimethyl-3-{2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl}-2-oxo-2H-chromen-7-yl acetate
Y040-0028 Screening compound: 4,8-dimethyl-3-{2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl}-2-oxo-2H-chromen-7-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-0028
4,8-dimethyl-3-{2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl}-2-oxo-2H-chromen-7-yl acetate

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

Y040-0028

Molecular Formula

C29H29N3O5 (C29 H29 N3 O5)

Compound Name

4,8-dimethyl-3-{2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl}-2-oxo-2H-chromen-7-yl acetate

IUPAC name

48-dimethyl-3-{2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl}-2-oxo-2H-chromen-7-yl acetate

SMILES

CC(Oc(cc1)c(C)c(O2)c1C(C)=C(CC(N(CC1)CCN1c1nc3ccccc3c(C)c1)=O)C2=O)=O

InChI

InChI=1S/C29H29N3O5/c1-17-15-26(30-24-8-6-5-7-21(17)24)31-11-13-32(14-12-31)27(34)16-23-18(2)22-9-10-25(36-20(4)33)19(3)28(22)37-29(23)35/h5-10,15H,11-14,16H2,1-4H3

InChI Key

SBTBEIUHUIUQKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09797019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.832

Distribution Coefficient, logD

4.827

Water Solubility, LogSw

-4.83

Polar Surface Area

68.858

Acid Dissociation Constant (pKa)

22.61

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

Y040-0028 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with Y040-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-0028?
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What is the minimum amount of Y040-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-0028
  • 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 Y040-0028 available by request