5408-0491 Screening compound: N-[(E)-1-(3-bromo-5-methoxy-4-propoxyphenyl)methylidene]-N-(1,7-diphenyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)amine

5408-0491 Screening compound: N-[(E)-1-(3-bromo-5-methoxy-4-propoxyphenyl)methylidene]-N-(1,7-diphenyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)amine
5408-0491 Screening compound: N-[(E)-1-(3-bromo-5-methoxy-4-propoxyphenyl)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 5408-0491
N-[(E)-1-(3-bromo-5-methoxy-4-propoxyphenyl)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

5408-0491

Molecular Formula

C35H35BrN2O2 (C35 H35 BrN2 O2)

Compound Name

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

SMILES

CCCOc(c(OC)cc(/C=N/c(cc1C(CC2)c3ccccc3)cc3c1N2CCC3c1ccccc1)c1)c1Br

InChI

InChI=1S/C35H35BrN2O2/c1-3-18-40-35-32(36)19-24(20-33(35)39-2)23-37-27-21-30-28(25-10-6-4-7-11-25)14-16-38-17-15-29(31(22-27)34(30)38)26-12-8-5-9-13-26/h4-13,19-23,28-29H,3,14-18H2,1-2H3

InChI Key

VRLAZNVOXSQFKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01430004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

595.58

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.313

Distribution Coefficient, logD

8.310

Water Solubility, LogSw

-5.82

Polar Surface Area

26.927

Acid Dissociation Constant (pKa)

24.45

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 5408-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-0491
  • 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 5408-0491 available by request