Y041-4553 Screening compound: (2Z)-6-[(2,6-dichlorophenyl)methoxy]-2-[(2-methyl-2H-chromen-3-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one

Y041-4553 Screening compound: (2Z)-6-[(2,6-dichlorophenyl)methoxy]-2-[(2-methyl-2H-chromen-3-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one
Y041-4553 Screening compound: (2Z)-6-[(2,6-dichlorophenyl)methoxy]-2-[(2-methyl-2H-chromen-3-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4553
(2Z)-6-[(2,6-dichlorophenyl)methoxy]-2-[(2-methyl-2H-chromen-3-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one

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

Y041-4553

Molecular Formula

C26H18Cl2O4 (C26 H18 Cl2 O4)

Compound Name

(2Z)-6-[(2,6-dichlorophenyl)methoxy]-2-[(2-methyl-2H-chromen-3-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one

IUPAC name

(2Z)-6-[(26-dichlorophenyl)methoxy]-2-[(2-methyl-2H-chromen-3-yl)methylidene]-23-dihydro-1-benzofuran-3-one

SMILES

CC1Oc(cccc2)c2C=C1/C=C1\Oc(cc(cc2)OCc(c(Cl)ccc3)c3Cl)c2C1=O

InChI

InChI=1S/C26H18Cl2O4/c1-15-17(11-16-5-2-3-8-23(16)31-15)12-25-26(29)19-10-9-18(13-24(19)32-25)30-14-20-21(27)6-4-7-22(20)28/h2-13,15H,14H2,1H3/t15-/m0/s1

InChI Key

PMJQJODDKKDMFS-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD06603333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.963

Distribution Coefficient, logD

6.963

Water Solubility, LogSw

-6.39

Polar Surface Area

36.242

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with Y041-4553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4553?
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What is the minimum amount of Y041-4553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4553
  • 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 Y041-4553 available by request