4209-0115 Screening compound: 4-chloro-2,2-diethyl-9-(prop-1-en-2-yl)-1H,2H,3H-benzo[f]isoindol-2-ium

4209-0115 Screening compound: 4-chloro-2,2-diethyl-9-(prop-1-en-2-yl)-1H,2H,3H-benzo[f]isoindol-2-ium
4209-0115 Screening compound: 4-chloro-2,2-diethyl-9-(prop-1-en-2-yl)-1H,2H,3H-benzo[f]isoindol-2-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4209-0115
4-chloro-2,2-diethyl-9-(prop-1-en-2-yl)-1H,2H,3H-benzo[f]isoindol-2-ium

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

4209-0115

Molecular Formula

C19H23ClN (C19 H23 ClN)

Compound Name

4-chloro-2,2-diethyl-9-(prop-1-en-2-yl)-1H,2H,3H-benzo[f]isoindol-2-ium

IUPAC name

4-chloro-22-diethyl-9-(prop-1-en-2-yl)-1H2H3H-benzo[f]isoindol-2-ium

SMILES

CC[N+](CC)(Cc1c(C(C)=C)c2ccccc22)Cc1c2Cl

InChI

InChI=1S/C19H23ClN/c1-5-21(6-2)11-16-17(12-21)19(20)15-10-8-7-9-14(15)18(16)13(3)4/h7-10H,3,5-6,11-12H2,1-2,4H3/q+1

InChI Key

DYTAPDJBSUHJAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02049984

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

300.85

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

5.681

Distribution Coefficient, logD

5.681

Water Solubility, LogSw

-6.28

Polar Surface Area

0.569

Acid Dissociation Constant (pKa)

22.79

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with 4209-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4209-0115?
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What is the minimum amount of 4209-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4209-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4209-0115
  • 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 4209-0115 available by request