3456-3854 Screening compound: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl methanesulfonate

3456-3854 Screening compound: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl methanesulfonate
3456-3854 Screening compound: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl methanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3456-3854
2,2,4-trimethyl-1,2-dihydroquinolin-6-yl methanesulfonate

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

3456-3854

Molecular Formula

C13H17NO3S (C13 H17 NO3 S)

Compound Name

2,2,4-trimethyl-1,2-dihydroquinolin-6-yl methanesulfonate

IUPAC name

224-trimethyl-12-dihydroquinolin-6-yl methanesulfonate

SMILES

CC1(C)Nc(ccc(OS(C)(=O)=O)c2)c2C(C)=C1

InChI

InChI=1S/C13H17NO3S/c1-9-8-13(2,3)14-12-6-5-10(7-11(9)12)17-18(4,15)16/h5-8,14H,1-4H3

InChI Key

YODVKSHBAZCZTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01796041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.806

Distribution Coefficient, logD

2.806

Water Solubility, LogSw

-3.60

Polar Surface Area

47.586

Acid Dissociation Constant (pKa)

17.65

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with 3456-3854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3456-3854?
Check Price and Availability of 3456-3854, 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 3456-3854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3456-3854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3456-3854
  • 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 3456-3854 available by request