6557-0013 Screening compound: 6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-methylbenzoate

6557-0013 Screening compound: 6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-methylbenzoate
6557-0013 Screening compound: 6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6557-0013
6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-methylbenzoate

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

6557-0013

Molecular Formula

C26H22O5 (C26 H22 O5)

Compound Name

6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-methylbenzoate

IUPAC name

6-(4-methoxyphenyl)-13-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-methylbenzoate

SMILES

Cc(oc(C)c1C(OC(c2c(C)cccc2)=O)=CC(c(cc2)ccc2OC)=C2)c1C2=O

InChI

InChI=1S/C26H22O5/c1-15-7-5-6-8-21(15)26(28)31-23-14-19(18-9-11-20(29-4)12-10-18)13-22(27)24-16(2)30-17(3)25(23)24/h5-14H,1-4H3

InChI Key

AEHCZCUOOZEWIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04144899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.46

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

5.352

Distribution Coefficient, logD

5.352

Water Solubility, LogSw

-5.46

Polar Surface Area

49.059

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

6557-0013 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 6557-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6557-0013?
Check Price and Availability of 6557-0013, 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 6557-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6557-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6557-0013
  • 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 6557-0013 available by request