5408-0488 Screening compound: N-[(E)-1-(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-N-(1,7-diphenyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)amine

5408-0488 Screening compound: N-[(E)-1-(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-N-(1,7-diphenyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)amine
5408-0488 Screening compound: N-[(E)-1-(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-N-(1,7-diphenyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-0488
N-[(E)-1-(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-N-(1,7-diphenyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)amine

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

5408-0488

Molecular Formula

C34H33BrN2O2 (C34 H33 BrN2 O2)

Compound Name

N-[(E)-1-(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-N-(1,7-diphenyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)amine

IUPAC name

(E)-1-(3-bromo-5-ethoxy-4-methoxyphenyl)-N-{410-diphenyl-1-azatricyclo[7.3.1.0^{513}]trideca-579(13)-trien-7-yl}methanimine

SMILES

CCOc1cc(/C=N/c(cc2C(CC3)c4ccccc4)cc4c2N3CCC4c2ccccc2)cc(Br)c1OC

InChI

InChI=1S/C34H33BrN2O2/c1-3-39-32-19-23(18-31(35)34(32)38-2)22-36-26-20-29-27(24-10-6-4-7-11-24)14-16-37-17-15-28(30(21-26)33(29)37)25-12-8-5-9-13-25/h4-13,18-22,27-28H,3,14-17H2,1-2H3

InChI Key

ISOAVSAMDDDCQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01429998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

581.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.716

Distribution Coefficient, logD

7.713

Water Solubility, LogSw

-5.83

Polar Surface Area

26.633

Acid Dissociation Constant (pKa)

24.45

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.50

References: we are preparing a list of scientific research reports with 5408-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-0488?
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What is the minimum amount of 5408-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-0488
  • 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 5408-0488 available by request