7584-0169 Screening compound: 4,8-diethoxy-2-(4-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrolium

7584-0169 Screening compound: 4,8-diethoxy-2-(4-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrolium
7584-0169 Screening compound: 4,8-diethoxy-2-(4-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrolium alternative view

Chemical Structure Depiction of ChemDiv screening compound 7584-0169
4,8-diethoxy-2-(4-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrolium

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

7584-0169

Molecular Formula

C22H26NO3 (C22 H26 NO3)

Compound Name

4,8-diethoxy-2-(4-methoxyphenyl)-1,3-dimethylcyclohepta[c]pyrrolium

IUPAC name

48-diethoxy-2-(4-methoxyphenyl)-13-dimethyl-2lambda5-cyclohepta[c]pyrrol-2-ylium

SMILES

CCOC(C=CC=C1OCC)=C2C1=C(C)[N+](c(cc1)ccc1OC)=C2C

InChI

InChI=1S/C22H26NO3/c1-6-25-19-9-8-10-20(26-7-2)22-16(4)23(15(3)21(19)22)17-11-13-18(24-5)14-12-17/h8-14H,6-7H2,1-5H3/q+1

InChI Key

ZNYBRMBTBZQIHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02989113

Chemical and Physical Properties

Saltdata

ClO4-

Molecular Weight

352.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.111

Distribution Coefficient, logD

5.111

Water Solubility, LogSw

-5.28

Polar Surface Area

24.106

Acid Dissociation Constant (pKa)

29.72

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with 7584-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7584-0169?
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What is the minimum amount of 7584-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7584-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7584-0169
  • 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 7584-0169 available by request