Y040-7586 Screening compound: 6-chloro-3-hexyl-4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2H-chromen-2-one

Y040-7586 Screening compound: 6-chloro-3-hexyl-4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2H-chromen-2-one
Y040-7586 Screening compound: 6-chloro-3-hexyl-4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7586
6-chloro-3-hexyl-4-methyl-7-[(2-methylprop-2-en-1-yl)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

Y040-7586

Molecular Formula

C20H25ClO3 (C20 H25 ClO3)

Compound Name

6-chloro-3-hexyl-4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2H-chromen-2-one

IUPAC name

6-chloro-3-hexyl-4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2H-chromen-2-one

SMILES

CCCCCCC(C(Oc1c2)=O)=C(C)c1cc(Cl)c2OCC(C)=C

InChI

InChI=1S/C20H25ClO3/c1-5-6-7-8-9-15-14(4)16-10-17(21)19(23-12-13(2)3)11-18(16)24-20(15)22/h10-11H,2,5-9,12H2,1,3-4H3

InChI Key

RCBXDYAQBRIVKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03029494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.276

Distribution Coefficient, logD

7.276

Water Solubility, LogSw

-6.48

Polar Surface Area

28.746

Acid Dissociation Constant (pKa)

27.99

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

Y040-7586 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y040-7586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7586?
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What is the minimum amount of Y040-7586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7586
  • 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 Y040-7586 available by request