Y040-3895 Screening compound: ethyl 3-{7-[(4-bromophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}propanoate

Y040-3895 Screening compound: ethyl 3-{7-[(4-bromophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}propanoate
Y040-3895 Screening compound: ethyl 3-{7-[(4-bromophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3895
ethyl 3-{7-[(4-bromophenyl)methoxy]-4,8-dimethyl-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

Y040-3895

Molecular Formula

C23H23BrO5 (C23 H23 BrO5)

Compound Name

ethyl 3-{7-[(4-bromophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}propanoate

IUPAC name

ethyl 3-{7-[(4-bromophenyl)methoxy]-48-dimethyl-2-oxo-2H-chromen-3-yl}propanoate

SMILES

CCOC(CCC1=C(C)c(ccc(OCc(cc2)ccc2Br)c2C)c2OC1=O)=O

InChI

InChI=1S/C23H23BrO5/c1-4-27-21(25)12-10-19-14(2)18-9-11-20(15(3)22(18)29-23(19)26)28-13-16-5-7-17(24)8-6-16/h5-9,11H,4,10,12-13H2,1-3H3

InChI Key

XFCWMGVRAODADZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03853812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.34

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

5.790

Distribution Coefficient, logD

5.790

Water Solubility, LogSw

-5.62

Polar Surface Area

48.317

Acid Dissociation Constant (pKa)

23.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

Y040-3895 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • 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 Y040-3895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3895?
Check Price and Availability of Y040-3895, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y040-3895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3895
  • 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 Y040-3895 available by request