0423-0856 Screening compound: N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-3,5-dimethyl-N~1~-(4-phenoxyphenyl)benzamide

0423-0856 Screening compound: N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-3,5-dimethyl-N~1~-(4-phenoxyphenyl)benzamide
0423-0856 Screening compound: N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-3,5-dimethyl-N~1~-(4-phenoxyphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0423-0856
N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-3,5-dimethyl-N~1~-(4-phenoxyphenyl)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

0423-0856

Molecular Formula

C36H30N2O4 (C36 H30 N2 O4)

Compound Name

N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-3,5-dimethyl-N~1~-(4-phenoxyphenyl)benzamide

IUPAC name

N-(3-{24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaen-3-yl}propyl)-35-dimethyl-N-(4-phenoxyphenyl)benzamide

SMILES

Cc1cc(C(N(CCCN(C(c2c3c4cccc3ccc2)=O)C4=O)c(cc2)ccc2Oc2ccccc2)=O)cc(C)c1

InChI

InChI=1S/C36H30N2O4/c1-24-21-25(2)23-27(22-24)34(39)37(28-15-17-30(18-16-28)42-29-11-4-3-5-12-29)19-8-20-38-35(40)31-13-6-9-26-10-7-14-32(33(26)31)36(38)41/h3-7,9-18,21-23H,8,19-20H2,1-2H3

InChI Key

RNILWXFTIDEXHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00986286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.515

Distribution Coefficient, logD

7.515

Water Solubility, LogSw

-6.46

Polar Surface Area

51.181

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.89

References: we are preparing a list of scientific research reports with 0423-0856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0423-0856?
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What is the minimum amount of 0423-0856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0423-0856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0423-0856
  • 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 0423-0856 available by request