Y041-1778 Screening compound: ethyl 3-{7-[(4-tert-butylphenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate

Y041-1778 Screening compound: ethyl 3-{7-[(4-tert-butylphenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate
Y041-1778 Screening compound: ethyl 3-{7-[(4-tert-butylphenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1778
ethyl 3-{7-[(4-tert-butylphenyl)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

Y041-1778

Molecular Formula

C26H30O5 (C26 H30 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CCC1=C(C)c(ccc(OCc2ccc(C(C)(C)C)cc2)c2)c2OC1=O)=O

InChI

InChI=1S/C26H30O5/c1-6-29-24(27)14-13-22-17(2)21-12-11-20(15-23(21)31-25(22)28)30-16-18-7-9-19(10-8-18)26(3,4)5/h7-12,15H,6,13-14,16H2,1-5H3

InChI Key

OVXMLUFWROWUBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03854396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.176

Distribution Coefficient, logD

6.176

Water Solubility, LogSw

-5.55

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

38.50

Y041-1778 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with Y041-1778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1778?
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What is the minimum amount of Y041-1778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1778
  • 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 Y041-1778 available by request