0423-0904 Screening compound: 4-chloro-N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-N~1~-(3-fluorophenyl)benzamide

0423-0904 Screening compound: 4-chloro-N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-N~1~-(3-fluorophenyl)benzamide
0423-0904 Screening compound: 4-chloro-N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-N~1~-(3-fluorophenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0423-0904
4-chloro-N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-N~1~-(3-fluorophenyl)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

0423-0904

Molecular Formula

C28H20ClFN2O3 (C28 H20 ClFN2 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1Cl)N(CCCN(C(c1c2c3cccc2ccc1)=O)C3=O)c1cc(F)ccc1

InChI

InChI=1S/C28H20ClFN2O3/c29-20-13-11-19(12-14-20)26(33)31(22-8-3-7-21(30)17-22)15-4-16-32-27(34)23-9-1-5-18-6-2-10-24(25(18)23)28(32)35/h1-3,5-14,17H,4,15-16H2

InChI Key

NSOBWMHCNKMXBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00986312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.93

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

5.686

Distribution Coefficient, logD

5.686

Water Solubility, LogSw

-6.32

Polar Surface Area

44.433

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.71

References: we are preparing a list of scientific research reports with 0423-0904 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 0423-0904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0423-0904
  • 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 0423-0904 available by request