4861-0113 Screening compound: (4E)-N-cyclohexyl-8-ethoxy-2-(3-methoxyphenyl)-1,3-dimethyl-2H,4H-cyclohepta[c]pyrrol-4-imine

4861-0113 Screening compound: (4E)-N-cyclohexyl-8-ethoxy-2-(3-methoxyphenyl)-1,3-dimethyl-2H,4H-cyclohepta[c]pyrrol-4-imine
4861-0113 Screening compound: (4E)-N-cyclohexyl-8-ethoxy-2-(3-methoxyphenyl)-1,3-dimethyl-2H,4H-cyclohepta[c]pyrrol-4-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4861-0113
(4E)-N-cyclohexyl-8-ethoxy-2-(3-methoxyphenyl)-1,3-dimethyl-2H,4H-cyclohepta[c]pyrrol-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

4861-0113

Molecular Formula

C26H32N2O2 (C26 H32 N2 O2)

Compound Name

(4E)-N-cyclohexyl-8-ethoxy-2-(3-methoxyphenyl)-1,3-dimethyl-2H,4H-cyclohepta[c]pyrrol-4-imine

IUPAC name

(4E)-N-cyclohexyl-8-ethoxy-2-(3-methoxyphenyl)-13-dimethyl-2H4H-cyclohepta[c]pyrrol-4-imine

SMILES

CCOC(c(c1c2C)c(C)n2-c2cc(OC)ccc2)=CC=C/C1=N\C1CCCCC1

InChI

InChI=1S/C26H32N2O2/c1-5-30-24-16-10-15-23(27-20-11-7-6-8-12-20)25-18(2)28(19(3)26(24)25)21-13-9-14-22(17-21)29-4/h9-10,13-17,20H,5-8,11-12H2,1-4H3

InChI Key

DVDGBADYEXAXDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448011

Chemical and Physical Properties

Saltdata

HClO4

Molecular Weight

404.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.207

Distribution Coefficient, logD

6.207

Water Solubility, LogSw

-5.59

Polar Surface Area

25.807

Acid Dissociation Constant (pKa)

28.23

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

References: we are preparing a list of scientific research reports with 4861-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4861-0113?
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What is the minimum amount of 4861-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4861-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4861-0113
  • 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 4861-0113 available by request