8016-4806 Screening compound: N-(2-chlorophenyl)-4-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-2-carboxamide

8016-4806 Screening compound: N-(2-chlorophenyl)-4-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-2-carboxamide
8016-4806 Screening compound: N-(2-chlorophenyl)-4-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4806
N-(2-chlorophenyl)-4-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-2-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

8016-4806

Molecular Formula

C17H13ClN4O2 (C17 H13 ClN4 O2)

Compound Name

N-(2-chlorophenyl)-4-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-2-carboxamide

IUPAC name

N-(2-chlorophenyl)-13-oxo-1810-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraene-11-carboxamide

SMILES

O=C(C(C1)Nc2nc(cccc3)c3n2C1=O)Nc(cccc1)c1Cl

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.312

Distribution Coefficient, logD

2.309

Water Solubility, LogSw

-2.96

Polar Surface Area

61.353

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.76

8016-4806 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Dark Chemical Matter Library (18430 compounds)

Nucleic Acid Ligands (8311 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Proteases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8016-4806 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4806?
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What is the minimum amount of 8016-4806 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4806
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4806
  • 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 8016-4806 available by request