4071-0019 Screening compound: 6-(3,4-dimethoxyphenyl)-4,8-diethoxy-1,3-dimethylcyclohepta[c]furanium

4071-0019 Screening compound: 6-(3,4-dimethoxyphenyl)-4,8-diethoxy-1,3-dimethylcyclohepta[c]furanium
4071-0019 Screening compound: 6-(3,4-dimethoxyphenyl)-4,8-diethoxy-1,3-dimethylcyclohepta[c]furanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4071-0019
6-(3,4-dimethoxyphenyl)-4,8-diethoxy-1,3-dimethylcyclohepta[c]furanium

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

4071-0019

Molecular Formula

C23H27O5 (C23 H27 O5)

Compound Name

6-(3,4-dimethoxyphenyl)-4,8-diethoxy-1,3-dimethylcyclohepta[c]furanium

IUPAC name

6-(34-dimethoxyphenyl)-48-diethoxy-13-dimethyl-2lambda4-cyclohepta[c]furan-2-ylium

SMILES

CCOC(C=C(C=C1OCC)c(cc2)cc(OC)c2OC)=C2C1=C(C)[O+]=C2C

InChI

InChI=1S/C23H27O5/c1-7-26-20-12-17(16-9-10-18(24-5)19(11-16)25-6)13-21(27-8-2)23-15(4)28-14(3)22(20)23/h9-13H,7-8H2,1-6H3/q+1

InChI Key

JEILWFFQLWTWCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02996942

Chemical and Physical Properties

Saltdata

ClO4-

Molecular Weight

383.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.840

Distribution Coefficient, logD

4.840

Water Solubility, LogSw

-4.83

Polar Surface Area

37.476

Acid Dissociation Constant (pKa)

28.19

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with 4071-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4071-0019?
Check Price and Availability of 4071-0019, 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 4071-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4071-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4071-0019
  • 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 4071-0019 available by request