4400-0135 Screening compound: 2-[(1E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,6-dimethylquinolin-1-ium

4400-0135 Screening compound: 2-[(1E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,6-dimethylquinolin-1-ium
4400-0135 Screening compound: 2-[(1E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,6-dimethylquinolin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4400-0135
2-[(1E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,6-dimethylquinolin-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

4400-0135

Molecular Formula

C21H23N2 (C21 H23 N2)

Compound Name

2-[(1E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,6-dimethylquinolin-1-ium

IUPAC name

2-[(1E)-2-[4-(dimethylamino)phenyl]ethenyl]-16-dimethylquinolin-1-ium

SMILES

Cc1ccc2[n+](C)c(/C=C/c(cc3)ccc3N(C)C)ccc2c1

InChI

InChI=1S/C21H23N2/c1-16-5-14-21-18(15-16)9-13-20(23(21)4)12-8-17-6-10-19(11-7-17)22(2)3/h5-15H,1-4H3/q+1

InChI Key

QOUGPSGIYUMILI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447488

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

303.43

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.294

Distribution Coefficient, logD

5.294

Water Solubility, LogSw

-5.67

Polar Surface Area

3.770

Acid Dissociation Constant (pKa)

27.28

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

4400-0135 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4400-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4400-0135?
Check Price and Availability of 4400-0135, 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 4400-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4400-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4400-0135
  • 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 4400-0135 available by request