6557-0050 Screening compound: (4E)-N-(3,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-8-methoxy-1,3-dimethyl-4H-cyclohepta[c]furan-4-imine

6557-0050 Screening compound: (4E)-N-(3,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-8-methoxy-1,3-dimethyl-4H-cyclohepta[c]furan-4-imine
6557-0050 Screening compound: (4E)-N-(3,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-8-methoxy-1,3-dimethyl-4H-cyclohepta[c]furan-4-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6557-0050
(4E)-N-(3,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-8-methoxy-1,3-dimethyl-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

6557-0050

Molecular Formula

C28H29NO5 (C28 H29 NO5)

Compound Name

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

IUPAC name

(4E)-N-(34-dimethoxyphenyl)-6-(4-ethoxyphenyl)-8-methoxy-13-dimethyl-4H-cyclohepta[c]furan-4-imine

SMILES

CCOc(cc1)ccc1C(C=C(c1c(C)oc(C)c11)OC)=C/C1=N\c(cc1)cc(OC)c1OC

InChI

InChI=1S/C28H29NO5/c1-7-33-22-11-8-19(9-12-22)20-14-23(29-21-10-13-24(30-4)25(16-21)31-5)27-17(2)34-18(3)28(27)26(15-20)32-6/h8-16H,7H2,1-6H3

InChI Key

KQDONHGAPDOAFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04142185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.415

Distribution Coefficient, logD

5.415

Water Solubility, LogSw

-5.62

Polar Surface Area

45.288

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 6557-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6557-0050?
Check Price and Availability of 6557-0050, 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 6557-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6557-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6557-0050
  • 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 6557-0050 available by request