0423-0350 Screening compound: N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-4-methoxy-N~1~-(4-methylphenyl)benzamide

0423-0350 Screening compound: N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-4-methoxy-N~1~-(4-methylphenyl)benzamide
0423-0350 Screening compound: N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-4-methoxy-N~1~-(4-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0423-0350
N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-4-methoxy-N~1~-(4-methylphenyl)benzamide

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

0423-0350

Molecular Formula

C30H26N2O4 (C30 H26 N2 O4)

Compound Name

N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-4-methoxy-N~1~-(4-methylphenyl)benzamide

IUPAC name

N-(3-{24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaen-3-yl}propyl)-4-methoxy-N-(4-methylphenyl)benzamide

SMILES

Cc(cc1)ccc1N(CCCN(C(c1c2c3cccc2ccc1)=O)C3=O)C(c(cc1)ccc1OC)=O

InChI

InChI=1S/C30H26N2O4/c1-20-10-14-23(15-11-20)31(28(33)22-12-16-24(36-2)17-13-22)18-5-19-32-29(34)25-8-3-6-21-7-4-9-26(27(21)25)30(32)35/h3-4,6-17H,5,18-19H2,1-2H3

InChI Key

AFZVRIBOXJFQTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.446

Distribution Coefficient, logD

5.446

Water Solubility, LogSw

-6.00

Polar Surface Area

51.977

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 0423-0350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0423-0350?
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What is the minimum amount of 0423-0350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0423-0350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0423-0350
  • 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 0423-0350 available by request