8563-0228 Screening compound: N~4~-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-4-carboxamide

8563-0228 Screening compound: N~4~-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-4-carboxamide
8563-0228 Screening compound: N~4~-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8563-0228
N~4~-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-4-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

8563-0228

Molecular Formula

C18H16N4O2 (C18 H16 N4 O2)

Compound Name

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

IUPAC name

N-(3-methylphenyl)-11-oxo-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraene-13-carboxamide

SMILES

Cc1cccc(NC(C(CC(N2)=O)n3c2nc2c3cccc2)=O)c1

InChI

InChI=1S/C18H16N4O2/c1-11-5-4-6-12(9-11)19-17(24)15-10-16(23)21-18-20-13-7-2-3-8-14(13)22(15)18/h2-9,15H,10H2,1H3,(H,19,24)(H,20,21,23)/t15-/m1/s1

InChI Key

SHEXXJOOZBLLQD-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD08088094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.35

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

2.490

Distribution Coefficient, logD

2.490

Water Solubility, LogSw

-2.84

Polar Surface Area

61.658

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

8563-0228 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

Nucleic Acid Ligands (8311 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8563-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8563-0228?
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What is the minimum amount of 8563-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8563-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8563-0228
  • 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 8563-0228 available by request