Y041-1216 Screening compound: prop-2-en-1-yl 2-{[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate

Y041-1216 Screening compound: prop-2-en-1-yl 2-{[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate
Y041-1216 Screening compound: prop-2-en-1-yl 2-{[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1216
prop-2-en-1-yl 2-{[(2Z)-2-[(2,3-dimethoxyphenyl)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

Y041-1216

Molecular Formula

C22H20O7 (C22 H20 O7)

Compound Name

prop-2-en-1-yl 2-{[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate

IUPAC name

prop-2-en-1-yl 2-{[(2Z)-2-[(23-dimethoxyphenyl)methylidene]-3-oxo-23-dihydro-1-benzofuran-6-yl]oxy}acetate

SMILES

COc1cccc(/C=C2\Oc(cc(cc3)OCC(OCC=C)=O)c3C2=O)c1OC

InChI

InChI=1S/C22H20O7/c1-4-10-27-20(23)13-28-15-8-9-16-18(12-15)29-19(21(16)24)11-14-6-5-7-17(25-2)22(14)26-3/h4-9,11-12H,1,10,13H2,2-3H3

InChI Key

XCNKFVUHKMKCKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04143924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.277

Distribution Coefficient, logD

3.277

Water Solubility, LogSw

-3.74

Polar Surface Area

64.663

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with Y041-1216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1216?
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What is the minimum amount of Y041-1216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1216
  • 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 Y041-1216 available by request