Y042-2735 Screening compound: 7-hydroxy-3-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4,8-dimethyl-2H-chromen-2-one

Y042-2735 Screening compound: 7-hydroxy-3-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4,8-dimethyl-2H-chromen-2-one
Y042-2735 Screening compound: 7-hydroxy-3-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4,8-dimethyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-2735
7-hydroxy-3-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4,8-dimethyl-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

Y042-2735

Molecular Formula

C24H26N2O5 (C24 H26 N2 O5)

Compound Name

7-hydroxy-3-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4,8-dimethyl-2H-chromen-2-one

IUPAC name

7-hydroxy-3-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-48-dimethyl-2H-chromen-2-one

SMILES

Cc(c(O1)c(cc2)C(C)=C(CC(N(CC3)CCN3c3cc(OC)ccc3)=O)C1=O)c2O

InChI

InChI=1S/C24H26N2O5/c1-15-19-7-8-21(27)16(2)23(19)31-24(29)20(15)14-22(28)26-11-9-25(10-12-26)17-5-4-6-18(13-17)30-3/h4-8,13,27H,9-12,14H2,1-3H3

InChI Key

SVKPJWBRTMPDSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18796385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.408

Distribution Coefficient, logD

3.403

Water Solubility, LogSw

-3.53

Polar Surface Area

64.317

Acid Dissociation Constant (pKa)

9.38

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

Y042-2735 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 Y042-2735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-2735?
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What is the minimum amount of Y042-2735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-2735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-2735
  • 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 Y042-2735 available by request