Y040-3862 Screening compound: 6-chloro-7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-4-propyl-2H-chromen-2-one

Y040-3862 Screening compound: 6-chloro-7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-4-propyl-2H-chromen-2-one
Y040-3862 Screening compound: 6-chloro-7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-4-propyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3862
6-chloro-7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-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

Y040-3862

Molecular Formula

C24H24ClNO4 (C24 H24 ClNO4)

Compound Name

6-chloro-7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-4-propyl-2H-chromen-2-one

IUPAC name

6-chloro-7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-4-propyl-2H-chromen-2-one

SMILES

CCCC(c(c(O1)c2)cc(Cl)c2OCC(c(cc2)ccc2N2CCCC2)=O)=CC1=O

InChI

InChI=1S/C24H24ClNO4/c1-2-5-17-12-24(28)30-22-14-23(20(25)13-19(17)22)29-15-21(27)16-6-8-18(9-7-16)26-10-3-4-11-26/h6-9,12-14H,2-5,10-11,15H2,1H3

InChI Key

MOHNNKNEYCBTEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05991299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.582

Distribution Coefficient, logD

5.582

Water Solubility, LogSw

-5.97

Polar Surface Area

45.025

Acid Dissociation Constant (pKa)

22.29

Base Dissociation Constant (pKb)

9.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Y040-3862 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-3862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3862?
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What is the minimum amount of Y040-3862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3862
  • 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 Y040-3862 available by request