4861-0102 Screening compound: 4,8-diethoxy-1,3-dimethylcyclohepta[c]furanium

4861-0102 Screening compound: 4,8-diethoxy-1,3-dimethylcyclohepta[c]furanium
4861-0102 Screening compound: 4,8-diethoxy-1,3-dimethylcyclohepta[c]furanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4861-0102
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

4861-0102

Molecular Formula

C15H19O3 (C15 H19 O3)

Compound Name

4,8-diethoxy-1,3-dimethylcyclohepta[c]furanium

IUPAC name

48-diethoxy-13-dimethyl-2lambda4-cyclohepta[c]furan-2-ylium

SMILES

CCOC(C=CC=C1OCC)=C2C1=C(C)[O+]=C2C

InChI

InChI=1S/C15H19O3/c1-5-16-12-8-7-9-13(17-6-2)15-11(4)18-10(3)14(12)15/h7-9H,5-6H2,1-4H3/q+1

InChI Key

QIMDZIIBDCCKDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02989036

Chemical and Physical Properties

Saltdata

ClO4-

Molecular Weight

247.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.555

Distribution Coefficient, logD

3.555

Water Solubility, LogSw

-3.57

Polar Surface Area

22.487

Acid Dissociation Constant (pKa)

28.19

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

4861-0102 in Drug Discovery

Included in Screening Libraries

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4861-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4861-0102?
Check Price and Availability of 4861-0102, 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 4861-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4861-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4861-0102
  • 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 4861-0102 available by request