8020-0455 Screening compound: ethyl 4-(3-fluorophenyl)-1-(2-methoxyethyl)-2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

8020-0455 Screening compound: ethyl 4-(3-fluorophenyl)-1-(2-methoxyethyl)-2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate
8020-0455 Screening compound: ethyl 4-(3-fluorophenyl)-1-(2-methoxyethyl)-2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0455
ethyl 4-(3-fluorophenyl)-1-(2-methoxyethyl)-2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

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

8020-0455

Molecular Formula

C22H22FN3O4 (C22 H22 FN3 O4)

Compound Name

ethyl 4-(3-fluorophenyl)-1-(2-methoxyethyl)-2-oxo-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

IUPAC name

ethyl 13-(3-fluorophenyl)-10-(2-methoxyethyl)-11-oxo-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraene-12-carboxylate

SMILES

CCOC(C(C(c1cccc(F)c1)n1c(N2CCOC)nc3c1cccc3)C2=O)=O

InChI

InChI=1S/C22H22FN3O4/c1-3-30-21(28)18-19(14-7-6-8-15(23)13-14)26-17-10-5-4-9-16(17)24-22(26)25(20(18)27)11-12-29-2/h4-10,13,18-19H,3,11-12H2,1-2H3

InChI Key

RWDQIOQQGMBIIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09785755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.285

Distribution Coefficient, logD

3.285

Water Solubility, LogSw

-3.36

Polar Surface Area

55.166

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

-3.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.80

8020-0455 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

DGK Inhibitors Library (10558 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
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Others
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0455?
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What is the minimum amount of 8020-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0455
  • 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 8020-0455 available by request