Y040-3910 Screening compound: ethyl 3-{7-[(3-bromophenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate

Y040-3910 Screening compound: ethyl 3-{7-[(3-bromophenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate
Y040-3910 Screening compound: ethyl 3-{7-[(3-bromophenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3910
ethyl 3-{7-[(3-bromophenyl)methoxy]-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

Y040-3910

Molecular Formula

C22H21BrO5 (C22 H21 BrO5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CCC1=C(C)c(ccc(OCc2cccc(Br)c2)c2)c2OC1=O)=O

InChI

InChI=1S/C22H21BrO5/c1-3-26-21(24)10-9-19-14(2)18-8-7-17(12-20(18)28-22(19)25)27-13-15-5-4-6-16(23)11-15/h4-8,11-12H,3,9-10,13H2,1-2H3

InChI Key

NLTKDESKTIOUBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03851062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.31

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

5.142

Distribution Coefficient, logD

5.142

Water Solubility, LogSw

-5.11

Polar Surface Area

48.546

Acid Dissociation Constant (pKa)

23.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

Y040-3910 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y040-3910 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3910?
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What is the minimum amount of Y040-3910 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3910
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3910
  • 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 Y040-3910 available by request