6557-0042 Screening compound: (4E)-6-(4-ethoxyphenyl)-8-methoxy-1,3-dimethyl-N-(4-methylphenyl)-4H-cyclohepta[c]furan-4-imine

6557-0042 Screening compound: (4E)-6-(4-ethoxyphenyl)-8-methoxy-1,3-dimethyl-N-(4-methylphenyl)-4H-cyclohepta[c]furan-4-imine
6557-0042 Screening compound: (4E)-6-(4-ethoxyphenyl)-8-methoxy-1,3-dimethyl-N-(4-methylphenyl)-4H-cyclohepta[c]furan-4-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6557-0042
(4E)-6-(4-ethoxyphenyl)-8-methoxy-1,3-dimethyl-N-(4-methylphenyl)-4H-cyclohepta[c]furan-4-imine

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

6557-0042

Molecular Formula

C27H27NO3 (C27 H27 NO3)

Compound Name

(4E)-6-(4-ethoxyphenyl)-8-methoxy-1,3-dimethyl-N-(4-methylphenyl)-4H-cyclohepta[c]furan-4-imine

IUPAC name

(4E)-6-(4-ethoxyphenyl)-8-methoxy-13-dimethyl-N-(4-methylphenyl)-4H-cyclohepta[c]furan-4-imine

SMILES

CCOc(cc1)ccc1C(C=C(c1c(C)oc(C)c11)OC)=C/C1=N\c1ccc(C)cc1

InChI

InChI=1S/C27H27NO3/c1-6-30-23-13-9-20(10-14-23)21-15-24(28-22-11-7-17(2)8-12-22)26-18(3)31-19(4)27(26)25(16-21)29-5/h7-16H,6H2,1-5H3

InChI Key

SCZDQZVGOISMAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04146236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.001

Distribution Coefficient, logD

6.001

Water Solubility, LogSw

-5.81

Polar Surface Area

30.027

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 6557-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6557-0042?
Check Price and Availability of 6557-0042, 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 6557-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6557-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6557-0042
  • 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 6557-0042 available by request