7165-0013 Screening compound: 2-{[(2E)-1,7-dimethyl-1,2-dihydroquinolin-2-ylidene]methyl}-1-ethyl-6-methylquinolin-1-ium

7165-0013 Screening compound: 2-{[(2E)-1,7-dimethyl-1,2-dihydroquinolin-2-ylidene]methyl}-1-ethyl-6-methylquinolin-1-ium
7165-0013 Screening compound: 2-{[(2E)-1,7-dimethyl-1,2-dihydroquinolin-2-ylidene]methyl}-1-ethyl-6-methylquinolin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 7165-0013
2-{[(2E)-1,7-dimethyl-1,2-dihydroquinolin-2-ylidene]methyl}-1-ethyl-6-methylquinolin-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

7165-0013

Molecular Formula

C24H25N2 (C24 H25 N2)

Compound Name

2-{[(2E)-1,7-dimethyl-1,2-dihydroquinolin-2-ylidene]methyl}-1-ethyl-6-methylquinolin-1-ium

IUPAC name

2-{[(2E)-17-dimethyl-12-dihydroquinolin-2-ylidene]methyl}-1-ethyl-6-methylquinolin-1-ium

SMILES

CC[n+]1c(/C=C2/N(C)c(cc(C)cc3)c3C=C2)ccc2cc(C)ccc12

InChI

InChI=1S/C24H25N2/c1-5-26-22(12-10-20-14-17(2)7-13-23(20)26)16-21-11-9-19-8-6-18(3)15-24(19)25(21)4/h6-16H,5H2,1-4H3/q+1

InChI Key

CTRFRXQMMRLDRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03444794

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

341.48

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.644

Distribution Coefficient, logD

6.644

Water Solubility, LogSw

-6.06

Polar Surface Area

0.962

Acid Dissociation Constant (pKa)

25.33

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

7165-0013 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 7165-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7165-0013?
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What is the minimum amount of 7165-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7165-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7165-0013
  • 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 7165-0013 available by request