Y040-7890 Screening compound: ethyl 3-{7-[(2-bromophenyl)methoxy]-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl}propanoate

Y040-7890 Screening compound: ethyl 3-{7-[(2-bromophenyl)methoxy]-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl}propanoate
Y040-7890 Screening compound: ethyl 3-{7-[(2-bromophenyl)methoxy]-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7890
ethyl 3-{7-[(2-bromophenyl)methoxy]-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl}propanoate

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

Y040-7890

Molecular Formula

C22H20BrClO5 (C22 H20 BrClO5)

Compound Name

ethyl 3-{7-[(2-bromophenyl)methoxy]-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl}propanoate

IUPAC name

ethyl 3-{7-[(2-bromophenyl)methoxy]-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl}propanoate

SMILES

CCOC(CCC(C(Oc1c2)=O)=C(C)c1cc(Cl)c2OCc(cccc1)c1Br)=O

InChI

InChI=1S/C22H20BrClO5/c1-3-27-21(25)9-8-15-13(2)16-10-18(24)20(11-19(16)29-22(15)26)28-12-14-6-4-5-7-17(14)23/h4-7,10-11H,3,8-9,12H2,1-2H3

InChI Key

FMZOVHKVJDNBCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04011412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.020

Distribution Coefficient, logD

6.020

Water Solubility, LogSw

-6.06

Polar Surface Area

48.633

Acid Dissociation Constant (pKa)

23.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

Y040-7890 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • 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 Y040-7890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7890?
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What is the minimum amount of Y040-7890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7890
  • 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 Y040-7890 available by request