0423-0672 Screening compound: N~2~-(2,4-dimethylphenyl)-N~2~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-2-thiophenecarboxamide

0423-0672 Screening compound: N~2~-(2,4-dimethylphenyl)-N~2~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-2-thiophenecarboxamide
0423-0672 Screening compound: N~2~-(2,4-dimethylphenyl)-N~2~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0423-0672
N~2~-(2,4-dimethylphenyl)-N~2~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-2-thiophenecarboxamide

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

0423-0672

Molecular Formula

C28H24N2O3S (C28 H24 N2 O3 S)

Compound Name

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

IUPAC name

N-(24-dimethylphenyl)-N-(3-{24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaen-3-yl}propyl)thiophene-2-carboxamide

SMILES

Cc(cc1)cc(C)c1N(CCCN(C(c1c2c3cccc2ccc1)=O)C3=O)C(c1cccs1)=O

InChI

InChI=1S/C28H24N2O3S/c1-18-12-13-23(19(2)17-18)29(28(33)24-11-5-16-34-24)14-6-15-30-26(31)21-9-3-7-20-8-4-10-22(25(20)21)27(30)32/h3-5,7-13,16-17H,6,14-15H2,1-2H3

InChI Key

IZXMCUUSWCDXLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00986247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.215

Distribution Coefficient, logD

6.215

Water Solubility, LogSw

-6.29

Polar Surface Area

45.151

Acid Dissociation Constant (pKa)

27.09

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with 0423-0672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0423-0672?
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What is the minimum amount of 0423-0672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0423-0672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0423-0672
  • 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 0423-0672 available by request