5847-1278 Screening compound: propan-2-yl 4-({[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate

5847-1278 Screening compound: propan-2-yl 4-({[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate
5847-1278 Screening compound: propan-2-yl 4-({[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5847-1278
propan-2-yl 4-({[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate

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

5847-1278

Molecular Formula

C27H24O6 (C27 H24 O6)

Compound Name

propan-2-yl 4-({[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate

IUPAC name

propan-2-yl 4-({[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-23-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate

SMILES

CC(C)OC(c1ccc(COc(cc2)cc(O/C3=C\c(cc4)ccc4OC)c2C3=O)cc1)=O

InChI

InChI=1S/C27H24O6/c1-17(2)32-27(29)20-8-4-19(5-9-20)16-31-22-12-13-23-24(15-22)33-25(26(23)28)14-18-6-10-21(30-3)11-7-18/h4-15,17H,16H2,1-3H3

InChI Key

UGHXLPDKTRWCNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03847120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.48

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

5.648

Distribution Coefficient, logD

5.648

Water Solubility, LogSw

-5.57

Polar Surface Area

56.567

Acid Dissociation Constant (pKa)

29.12

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with 5847-1278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5847-1278?
Check Price and Availability of 5847-1278, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5847-1278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5847-1278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5847-1278
  • 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 5847-1278 available by request