0083-0120 Screening compound: 1-ethyl-4-[(1E,3E)-5-(1-ethyl-1,4-dihydropyridin-4-ylidene)-3-(1-ethylquinolin-1-ium-4-yl)penta-1,3-dien-1-yl]quinolin-1-ium

0083-0120 Screening compound: 1-ethyl-4-[(1E,3E)-5-(1-ethyl-1,4-dihydropyridin-4-ylidene)-3-(1-ethylquinolin-1-ium-4-yl)penta-1,3-dien-1-yl]quinolin-1-ium
0083-0120 Screening compound: 1-ethyl-4-[(1E,3E)-5-(1-ethyl-1,4-dihydropyridin-4-ylidene)-3-(1-ethylquinolin-1-ium-4-yl)penta-1,3-dien-1-yl]quinolin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0083-0120
1-ethyl-4-[(1E,3E)-5-(1-ethyl-1,4-dihydropyridin-4-ylidene)-3-(1-ethylquinolin-1-ium-4-yl)penta-1,3-dien-1-yl]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

0083-0120

Molecular Formula

C34H35N3 (C34 H35 N3)

Compound Name

1-ethyl-4-[(1E,3E)-5-(1-ethyl-1,4-dihydropyridin-4-ylidene)-3-(1-ethylquinolin-1-ium-4-yl)penta-1,3-dien-1-yl]quinolin-1-ium

IUPAC name

1-ethyl-4-[(1E3E)-5-(1-ethyl-14-dihydropyridin-4-ylidene)-3-(1-ethylquinolin-1-ium-4-yl)penta-13-dien-1-yl]quinolin-1-ium

SMILES

CCN(C=C1)C=CC1=C/C=C(\C=C\c1cc[n+](CC)c2ccccc12)/c1cc[n+](CC)c2ccccc12

InChI

InChI=1S/C34H35N3/c1-4-35-23-19-27(20-24-35)15-16-28(30-22-26-37(6-3)34-14-10-8-12-32(30)34)17-18-29-21-25-36(5-2)33-13-9-7-11-31(29)33/h7-26H,4-6H2,1-3H3/q+2

InChI Key

HWFYYJBVRJSZRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804681

Chemical and Physical Properties

Saltdata

2I-

Molecular Weight

485.67

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.801

Distribution Coefficient, logD

6.801

Water Solubility, LogSw

-6.33

Polar Surface Area

3.250

Acid Dissociation Constant (pKa)

26.09

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 0083-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0083-0120?
Check Price and Availability of 0083-0120, 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 0083-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0083-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0083-0120
  • 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 0083-0120 available by request