Y040-7621 Screening compound: 3,4-dimethyl-7-[(2-oxocyclohexyl)oxy]-2H-chromen-2-one

Y040-7621 Screening compound: 3,4-dimethyl-7-[(2-oxocyclohexyl)oxy]-2H-chromen-2-one
Y040-7621 Screening compound: 3,4-dimethyl-7-[(2-oxocyclohexyl)oxy]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7621
3,4-dimethyl-7-[(2-oxocyclohexyl)oxy]-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

Y040-7621

Molecular Formula

C17H18O4 (C17 H18 O4)

Compound Name

3,4-dimethyl-7-[(2-oxocyclohexyl)oxy]-2H-chromen-2-one

IUPAC name

34-dimethyl-7-[(2-oxocyclohexyl)oxy]-2H-chromen-2-one

SMILES

CC(c(ccc(OC(CCCC1)C1=O)c1)c1O1)=C(C)C1=O

InChI

InChI=1S/C17H18O4/c1-10-11(2)17(19)21-16-9-12(7-8-13(10)16)20-15-6-4-3-5-14(15)18/h7-9,15H,3-6H2,1-2H3/t15-/m0/s1

InChI Key

DJSSTSUTKCQMJZ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02057584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.764

Distribution Coefficient, logD

2.764

Water Solubility, LogSw

-3.12

Polar Surface Area

40.805

Acid Dissociation Constant (pKa)

19.77

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

Y040-7621 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-7621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7621?
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What is the minimum amount of Y040-7621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7621
  • 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 Y040-7621 available by request