7165-0234 Screening compound: 1-ethyl-6-methyl-2-{[(2Z)-1-(3-sulfonatopropyl)-1,2-dihydroquinolin-2-ylidene]methyl}quinolin-1-ium

7165-0234 Screening compound: 1-ethyl-6-methyl-2-{[(2Z)-1-(3-sulfonatopropyl)-1,2-dihydroquinolin-2-ylidene]methyl}quinolin-1-ium
7165-0234 Screening compound: 1-ethyl-6-methyl-2-{[(2Z)-1-(3-sulfonatopropyl)-1,2-dihydroquinolin-2-ylidene]methyl}quinolin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 7165-0234
1-ethyl-6-methyl-2-{[(2Z)-1-(3-sulfonatopropyl)-1,2-dihydroquinolin-2-ylidene]methyl}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

7165-0234

Molecular Formula

C25H26N2O3S (C25 H26 N2 O3 S)

Compound Name

1-ethyl-6-methyl-2-{[(2Z)-1-(3-sulfonatopropyl)-1,2-dihydroquinolin-2-ylidene]methyl}quinolin-1-ium

IUPAC name

1-ethyl-6-methyl-2-{[(2Z)-1-(3-sulfonatopropyl)-12-dihydroquinolin-2-ylidene]methyl}quinolin-1-ium

SMILES

CC[n+]1c(/C=C2\N(CCCS([O-])(=O)=O)c(cccc3)c3C=C2)ccc2cc(C)ccc12

InChI

InChI=1S/C25H26N2O3S/c1-3-26-22(13-11-21-17-19(2)9-14-25(21)26)18-23-12-10-20-7-4-5-8-24(20)27(23)15-6-16-31(28,29)30/h4-5,7-14,17-18H,3,6,15-16H2,1-2H3

InChI Key

LXEZUUHSAUKJPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.245

Distribution Coefficient, logD

4.245

Water Solubility, LogSw

-4.21

Polar Surface Area

44.234

Acid Dissociation Constant (pKa)

21.65

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

7165-0234 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7165-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7165-0234?
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What is the minimum amount of 7165-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7165-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7165-0234
  • 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 7165-0234 available by request