Y041-4533 Screening compound: ethyl 2-{[(2Z)-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-6-yl]oxy}-2-phenylacetate

Y041-4533 Screening compound: ethyl 2-{[(2Z)-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-6-yl]oxy}-2-phenylacetate
Y041-4533 Screening compound: ethyl 2-{[(2Z)-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-6-yl]oxy}-2-phenylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4533
ethyl 2-{[(2Z)-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-6-yl]oxy}-2-phenylacetate

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

Y041-4533

Molecular Formula

C28H26O8 (C28 H26 O8)

Compound Name

ethyl 2-{[(2Z)-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-6-yl]oxy}-2-phenylacetate

IUPAC name

ethyl 2-{[(2Z)-3-oxo-2-[(245-trimethoxyphenyl)methylidene]-23-dihydro-1-benzofuran-6-yl]oxy}-2-phenylacetate

SMILES

CCOC(C(c1ccccc1)Oc(cc1)cc(O/C2=C\c(cc(c(OC)c3)OC)c3OC)c1C2=O)=O

InChI

InChI=1S/C28H26O8/c1-5-34-28(30)27(17-9-7-6-8-10-17)35-19-11-12-20-22(15-19)36-25(26(20)29)14-18-13-23(32-3)24(33-4)16-21(18)31-2/h6-16,27H,5H2,1-4H3/t27-/m1/s1

InChI Key

DJQQETVRUSETAC-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD04145260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.725

Distribution Coefficient, logD

4.725

Water Solubility, LogSw

-4.63

Polar Surface Area

71.512

Acid Dissociation Constant (pKa)

20.96

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with Y041-4533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4533?
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What is the minimum amount of Y041-4533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4533
  • 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 Y041-4533 available by request