4071-0021 Screening compound: 4,8-diethoxy-6-[4-(heptyloxy)phenyl]-1,3-dimethylcyclohepta[c]furanium

4071-0021 Screening compound: 4,8-diethoxy-6-[4-(heptyloxy)phenyl]-1,3-dimethylcyclohepta[c]furanium
4071-0021 Screening compound: 4,8-diethoxy-6-[4-(heptyloxy)phenyl]-1,3-dimethylcyclohepta[c]furanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4071-0021
4,8-diethoxy-6-[4-(heptyloxy)phenyl]-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

4071-0021

Molecular Formula

C28H37O4 (C28 H37 O4)

Compound Name

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

IUPAC name

48-diethoxy-6-[4-(heptyloxy)phenyl]-13-dimethyl-2lambda4-cyclohepta[c]furan-2-ylium

SMILES

CCCCCCCOc(cc1)ccc1C(C=C1OCC)=CC(OCC)=C2C1=C(C)[O+]=C2C

InChI

InChI=1S/C28H37O4/c1-6-9-10-11-12-17-31-24-15-13-22(14-16-24)23-18-25(29-7-2)27-20(4)32-21(5)28(27)26(19-23)30-8-3/h13-16,18-19H,6-12,17H2,1-5H3/q+1

InChI Key

YFSUCHKKTCNSCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02998082

Chemical and Physical Properties

Saltdata

ClO4-

Molecular Weight

437.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.180

Distribution Coefficient, logD

8.180

Water Solubility, LogSw

-6.05

Polar Surface Area

29.633

Acid Dissociation Constant (pKa)

27.86

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.40

References: we are preparing a list of scientific research reports with 4071-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4071-0021?
Check Price and Availability of 4071-0021, 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 4071-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4071-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4071-0021
  • 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 4071-0021 available by request