4209-0114 Screening compound: 4-chloro-2,2-dimethyl-1H,2H,3H-benzo[f]isoindol-2-ium

4209-0114 Screening compound: 4-chloro-2,2-dimethyl-1H,2H,3H-benzo[f]isoindol-2-ium
4209-0114 Screening compound: 4-chloro-2,2-dimethyl-1H,2H,3H-benzo[f]isoindol-2-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4209-0114
4-chloro-2,2-dimethyl-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

4209-0114

Molecular Formula

C14H15ClN (C14 H15 ClN)

Compound Name

4-chloro-2,2-dimethyl-1H,2H,3H-benzo[f]isoindol-2-ium

IUPAC name

4-chloro-22-dimethyl-1H2H3H-benzo[f]isoindol-2-ium

SMILES

C[N+](C)(Cc1cc2ccccc22)Cc1c2Cl

InChI

InChI=1S/C14H15ClN/c1-16(2)8-11-7-10-5-3-4-6-12(10)14(15)13(11)9-16/h3-7H,8-9H2,1-2H3/q+1

InChI Key

OBFWWTVHVZZDTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00607997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

232.73

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

3.631

Distribution Coefficient, logD

3.631

Water Solubility, LogSw

-4.31

Polar Surface Area

-0.268

Acid Dissociation Constant (pKa)

24.54

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 4209-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4209-0114?
Check Price and Availability of 4209-0114, 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 4209-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4209-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4209-0114
  • 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 4209-0114 available by request