Y040-0112 Screening compound: 6-chloro-7-(1-phenylethoxy)-4-propyl-2H-chromen-2-one

Y040-0112 Screening compound: 6-chloro-7-(1-phenylethoxy)-4-propyl-2H-chromen-2-one
Y040-0112 Screening compound: 6-chloro-7-(1-phenylethoxy)-4-propyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-0112
6-chloro-7-(1-phenylethoxy)-4-propyl-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

Y040-0112

Molecular Formula

C20H19ClO3 (C20 H19 ClO3)

Compound Name

6-chloro-7-(1-phenylethoxy)-4-propyl-2H-chromen-2-one

IUPAC name

6-chloro-7-(1-phenylethoxy)-4-propyl-2H-chromen-2-one

SMILES

CCCC(c(c(O1)c2)cc(Cl)c2OC(C)c2ccccc2)=CC1=O

InChI

InChI=1S/C20H19ClO3/c1-3-7-15-10-20(22)24-18-12-19(17(21)11-16(15)18)23-13(2)14-8-5-4-6-9-14/h4-6,8-13H,3,7H2,1-2H3/t13-/m0/s1

InChI Key

SNXQBBXLLCIIGQ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD04208865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.120

Distribution Coefficient, logD

6.120

Water Solubility, LogSw

-6.16

Polar Surface Area

27.250

Acid Dissociation Constant (pKa)

27.04

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y040-0112 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 Y040-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-0112?
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What is the minimum amount of Y040-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-0112
  • 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 Y040-0112 available by request