5458-1273 Screening compound: N-(3-chlorophenyl)-5-oxo-9b-phenyl-1H,2H,3H,5H,9bH-imidazo[2,1-a]isoindole-1-carboxamide

5458-1273 Screening compound: N-(3-chlorophenyl)-5-oxo-9b-phenyl-1H,2H,3H,5H,9bH-imidazo[2,1-a]isoindole-1-carboxamide
5458-1273 Screening compound: N-(3-chlorophenyl)-5-oxo-9b-phenyl-1H,2H,3H,5H,9bH-imidazo[2,1-a]isoindole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5458-1273
N-(3-chlorophenyl)-5-oxo-9b-phenyl-1H,2H,3H,5H,9bH-imidazo[2,1-a]isoindole-1-carboxamide

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

5458-1273

Molecular Formula

C23H18ClN3O2 (C23 H18 ClN3 O2)

Compound Name

N-(3-chlorophenyl)-5-oxo-9b-phenyl-1H,2H,3H,5H,9bH-imidazo[2,1-a]isoindole-1-carboxamide

IUPAC name

N-(3-chlorophenyl)-5-oxo-9b-phenyl-1H2H3H5H9bH-imidazo[21-a]isoindole-1-carboxamide

SMILES

O=C(Nc1cccc(Cl)c1)N(CC1)C(c2c3cccc2)(c2ccccc2)N1C3=O

InChI

InChI=1S/C23H18ClN3O2/c24-17-9-6-10-18(15-17)25-22(29)27-14-13-26-21(28)19-11-4-5-12-20(19)23(26,27)16-7-2-1-3-8-16/h1-12,15H,13-14H2,(H,25,29)/t23-/m0/s1

InChI Key

FQQIMKOHFSKRNY-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02222625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.330

Distribution Coefficient, logD

5.330

Water Solubility, LogSw

-5.83

Polar Surface Area

41.660

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

5458-1273 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5458-1273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5458-1273?
Check Price and Availability of 5458-1273, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5458-1273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5458-1273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5458-1273
  • 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 5458-1273 available by request