6557-0001 Screening compound: 6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-fluorobenzoate

6557-0001 Screening compound: 6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-fluorobenzoate
6557-0001 Screening compound: 6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6557-0001
6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-fluorobenzoate

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

6557-0001

Molecular Formula

C25H19FO5 (C25 H19 FO5)

Compound Name

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

IUPAC name

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

SMILES

Cc(oc(C)c1C(OC(c(cccc2)c2F)=O)=CC(c(cc2)ccc2OC)=C2)c1C2=O

InChI

InChI=1S/C25H19FO5/c1-14-23-21(27)12-17(16-8-10-18(29-3)11-9-16)13-22(24(23)15(2)30-14)31-25(28)19-6-4-5-7-20(19)26/h4-13H,1-3H3

InChI Key

JIOQWWIETXYSEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04163779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.42

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

4.995

Distribution Coefficient, logD

4.995

Water Solubility, LogSw

-4.83

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

6557-0001 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6557-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6557-0001?
Check Price and Availability of 6557-0001, 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 6557-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6557-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6557-0001
  • 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 6557-0001 available by request