Y041-1167 Screening compound: benzyl 2-{[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate

Y041-1167 Screening compound: benzyl 2-{[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate
Y041-1167 Screening compound: benzyl 2-{[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1167
benzyl 2-{[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate

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

Y041-1167

Molecular Formula

C25H19BrO6 (C25 H19 BrO6)

Compound Name

benzyl 2-{[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate

IUPAC name

benzyl 2-{[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-23-dihydro-1-benzofuran-6-yl]oxy}acetate

SMILES

COc(cc1)c(/C=C2\Oc(cc(cc3)OCC(OCc4ccccc4)=O)c3C2=O)cc1Br

InChI

InChI=1S/C25H19BrO6/c1-29-21-10-7-18(26)11-17(21)12-23-25(28)20-9-8-19(13-22(20)32-23)30-15-24(27)31-14-16-5-3-2-4-6-16/h2-13H,14-15H2,1H3

InChI Key

DABLHFGWPJIGSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04191259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.423

Distribution Coefficient, logD

5.423

Water Solubility, LogSw

-5.55

Polar Surface Area

56.755

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with Y041-1167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1167?
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What is the minimum amount of Y041-1167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1167
  • 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 Y041-1167 available by request