4400-0140 Screening compound: 2-{[(2E)-1,8-dimethyl-1,2-dihydroquinolin-2-ylidene]methyl}-1-methylpyridin-1-ium

4400-0140 Screening compound: 2-{[(2E)-1,8-dimethyl-1,2-dihydroquinolin-2-ylidene]methyl}-1-methylpyridin-1-ium
4400-0140 Screening compound: 2-{[(2E)-1,8-dimethyl-1,2-dihydroquinolin-2-ylidene]methyl}-1-methylpyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4400-0140
2-{[(2E)-1,8-dimethyl-1,2-dihydroquinolin-2-ylidene]methyl}-1-methylpyridin-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

4400-0140

Molecular Formula

C18H19N2 (C18 H19 N2)

Compound Name

2-{[(2E)-1,8-dimethyl-1,2-dihydroquinolin-2-ylidene]methyl}-1-methylpyridin-1-ium

IUPAC name

2-{[(2E)-18-dimethyl-12-dihydroquinolin-2-ylidene]methyl}-1-methylpyridin-1-ium

SMILES

Cc1cccc(C=C2)c1N(C)/C2=C/c1[n+](C)cccc1

InChI

InChI=1S/C18H19N2/c1-14-7-6-8-15-10-11-17(20(3)18(14)15)13-16-9-4-5-12-19(16)2/h4-13H,1-3H3/q+1

InChI Key

SWONIMYAMDVFIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447489

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

263.36

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.804

Distribution Coefficient, logD

3.804

Water Solubility, LogSw

-3.92

Polar Surface Area

4.086

Acid Dissociation Constant (pKa)

28.46

Base Dissociation Constant (pKb)

-1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4400-0140 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4400-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4400-0140?
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What is the minimum amount of 4400-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4400-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4400-0140
  • 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 4400-0140 available by request