0716-0001 Screening compound: 4,6,7-trimethyl-1-(3-sulfonatopropyl)quinolin-1-ium

0716-0001 Screening compound: 4,6,7-trimethyl-1-(3-sulfonatopropyl)quinolin-1-ium
0716-0001 Screening compound: 4,6,7-trimethyl-1-(3-sulfonatopropyl)quinolin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0716-0001
4,6,7-trimethyl-1-(3-sulfonatopropyl)quinolin-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

0716-0001

Molecular Formula

C15H19NO3S (C15 H19 NO3 S)

Compound Name

4,6,7-trimethyl-1-(3-sulfonatopropyl)quinolin-1-ium

IUPAC name

467-trimethyl-1-(3-sulfonatopropyl)quinolin-1-ium

SMILES

Cc1cc[n+](CCCS([O-])(=O)=O)c2cc(C)c(C)cc12

InChI

InChI=1S/C15H19NO3S/c1-11-5-7-16(6-4-8-20(17,18)19)15-10-13(3)12(2)9-14(11)15/h5,7,9-10H,4,6,8H2,1-3H3

InChI Key

SAMYLLVPGJFEKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00426942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.859

Distribution Coefficient, logD

1.859

Water Solubility, LogSw

-2.27

Polar Surface Area

44.368

Acid Dissociation Constant (pKa)

20.47

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

0716-0001 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0716-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0716-0001?
Check Price and Availability of 0716-0001, 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 0716-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0716-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0716-0001
  • 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 0716-0001 available by request