6557-0189 Screening compound: 6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate

6557-0189 Screening compound: 6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate
6557-0189 Screening compound: 6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6557-0189
6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate

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

6557-0189

Molecular Formula

C26H21NO7 (C26 H21 NO7)

Compound Name

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

IUPAC name

6-(4-ethoxyphenyl)-13-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate

SMILES

CCOc(cc1)ccc1C(C=C(c1c(C)oc(C)c11)OC(c2cccc([N+]([O-])=O)c2)=O)=CC1=O

InChI

InChI=1S/C26H21NO7/c1-4-32-21-10-8-17(9-11-21)19-13-22(28)24-15(2)33-16(3)25(24)23(14-19)34-26(29)18-6-5-7-20(12-18)27(30)31/h5-14H,4H2,1-3H3

InChI Key

PSFLDIQTQHAZFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04175724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.053

Distribution Coefficient, logD

5.053

Water Solubility, LogSw

-4.84

Polar Surface Area

82.020

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 6557-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6557-0189?
Check Price and Availability of 6557-0189, 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 6557-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6557-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6557-0189
  • 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 6557-0189 available by request