Y040-3533 Screening compound: 7-hydroxy-4-(4-methoxyphenyl)-8-methyl-6-[(3-methylpiperidino)methyl]-2H-chromen-2-one

Y040-3533 Screening compound: 7-hydroxy-4-(4-methoxyphenyl)-8-methyl-6-[(3-methylpiperidino)methyl]-2H-chromen-2-one
Y040-3533 Screening compound: 7-hydroxy-4-(4-methoxyphenyl)-8-methyl-6-[(3-methylpiperidino)methyl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3533
7-hydroxy-4-(4-methoxyphenyl)-8-methyl-6-[(3-methylpiperidino)methyl]-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

Y040-3533

Molecular Formula

C24H27NO4 (C24 H27 NO4)

Compound Name

7-hydroxy-4-(4-methoxyphenyl)-8-methyl-6-[(3-methylpiperidino)methyl]-2H-chromen-2-one

IUPAC name

7-hydroxy-4-(4-methoxyphenyl)-8-methyl-6-[(3-methylpiperidin-1-yl)methyl]-2H-chromen-2-one

SMILES

CC1CN(Cc(c(O)c2C)cc(C(c(cc3)ccc3OC)=C3)c2OC3=O)CCC1

InChI

InChI=1S/C24H27NO4/c1-15-5-4-10-25(13-15)14-18-11-21-20(17-6-8-19(28-3)9-7-17)12-22(26)29-24(21)16(2)23(18)27/h6-9,11-12,15,27H,4-5,10,13-14H2,1-3H3/t15-/m0/s1

InChI Key

CVHTWKYCYKUURC-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03851722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.515

Distribution Coefficient, logD

3.684

Water Solubility, LogSw

-4.21

Polar Surface Area

46.747

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

Y040-3533 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y040-3533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3533?
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What is the minimum amount of Y040-3533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3533
  • 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 Y040-3533 available by request