5051-0235 Screening compound: 6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl benzoate

5051-0235 Screening compound: 6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl benzoate
5051-0235 Screening compound: 6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5051-0235
6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 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

5051-0235

Molecular Formula

C25H20O5 (C25 H20 O5)

Compound Name

6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl benzoate

IUPAC name

6-(4-methoxyphenyl)-13-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl benzoate

SMILES

Cc(oc(C)c1C(OC(c2ccccc2)=O)=CC(c(cc2)ccc2OC)=C2)c1C2=O

InChI

InChI=1S/C25H20O5/c1-15-23-21(26)13-19(17-9-11-20(28-3)12-10-17)14-22(24(23)16(2)29-15)30-25(27)18-7-5-4-6-8-18/h4-14H,1-3H3

InChI Key

WLPYBHUMKWQWJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03247417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.736

Distribution Coefficient, logD

4.736

Water Solubility, LogSw

-4.80

Polar Surface Area

49.059

Acid Dissociation Constant (pKa)

31.68

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

5051-0235 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5051-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5051-0235?
Check Price and Availability of 5051-0235, 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 5051-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5051-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5051-0235
  • 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 5051-0235 available by request