3807-2757 Screening compound: 2,2-dimethyl-1H,2H,3H-benzo[f]isoindol-2-ium

3807-2757 Screening compound: 2,2-dimethyl-1H,2H,3H-benzo[f]isoindol-2-ium
3807-2757 Screening compound: 2,2-dimethyl-1H,2H,3H-benzo[f]isoindol-2-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-2757
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

3807-2757

Molecular Formula

C14H16N (C14 H16 N)

Compound Name

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

IUPAC name

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

SMILES

C[N+]1(C)Cc2cc3ccccc3cc2C1

InChI

InChI=1S/C14H16N/c1-15(2)9-13-7-11-5-3-4-6-12(11)8-14(13)10-15/h3-8H,9-10H2,1-2H3/q+1

InChI Key

ZKRBJEJZLNXPMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00995700

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

198.29

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

3.097

Distribution Coefficient, logD

3.097

Water Solubility, LogSw

-3.31

Polar Surface Area

-0.268

Acid Dissociation Constant (pKa)

24.51

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 3807-2757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-2757?
Check Price and Availability of 3807-2757, 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 3807-2757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-2757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-2757
  • 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 3807-2757 available by request