1247-0021 Screening compound: 4-(1,3-dimethyl-1H-1,3-benzodiazol-3-ium-2-yl)-1-methylquinolin-1-ium

1247-0021 Screening compound: 4-(1,3-dimethyl-1H-1,3-benzodiazol-3-ium-2-yl)-1-methylquinolin-1-ium
1247-0021 Screening compound: 4-(1,3-dimethyl-1H-1,3-benzodiazol-3-ium-2-yl)-1-methylquinolin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 1247-0021
4-(1,3-dimethyl-1H-1,3-benzodiazol-3-ium-2-yl)-1-methylquinolin-1-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

1247-0021

Molecular Formula

C19H19N3 (C19 H19 N3)

Compound Name

4-(1,3-dimethyl-1H-1,3-benzodiazol-3-ium-2-yl)-1-methylquinolin-1-ium

IUPAC name

4-(13-dimethyl-1H-13-benzodiazol-3-ium-2-yl)-1-methylquinolin-1-ium

SMILES

Cn1c(-c2cc[n+](C)c3ccccc23)[n+](C)c2c1cccc2

InChI

InChI=1S/C19H19N3/c1-20-13-12-15(14-8-4-5-9-16(14)20)19-21(2)17-10-6-7-11-18(17)22(19)3/h4-13H,1-3H3/q+2

InChI Key

BGIHWDWKOXXMFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807595

Chemical and Physical Properties

Saltdata

2I-

Molecular Weight

289.38

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.628

Distribution Coefficient, logD

3.628

Water Solubility, LogSw

-3.98

Polar Surface Area

5.170

Acid Dissociation Constant (pKa)

28.48

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 1247-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1247-0021?
Check Price and Availability of 1247-0021, 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 1247-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1247-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1247-0021
  • 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 1247-0021 available by request