Y020-6484 Screening compound: ethyl 4-(4-methoxyphenyl)-2-oxo-1-phenethyl-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate

Y020-6484 Screening compound: ethyl 4-(4-methoxyphenyl)-2-oxo-1-phenethyl-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate
Y020-6484 Screening compound: ethyl 4-(4-methoxyphenyl)-2-oxo-1-phenethyl-1,2,3,4-tetrahydropyrimido[1,2-a][1,3]benzimidazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6484
ethyl 4-(4-methoxyphenyl)-2-oxo-1-phenethyl-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

Y020-6484

Molecular Formula

C28H27N3O4 (C28 H27 N3 O4)

Compound Name

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

IUPAC name

ethyl 13-(4-methoxyphenyl)-11-oxo-10-(2-phenylethyl)-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraene-12-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1OC)n1c(N2CCc3ccccc3)nc3c1cccc3)C2=O)=O

InChI

InChI=1S/C28H27N3O4/c1-3-35-27(33)24-25(20-13-15-21(34-2)16-14-20)31-23-12-8-7-11-22(23)29-28(31)30(26(24)32)18-17-19-9-5-4-6-10-19/h4-16,24-25H,3,17-18H2,1-2H3

InChI Key

LOOCEAQWIDKKLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08573169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.099

Distribution Coefficient, logD

5.099

Water Solubility, LogSw

-4.94

Polar Surface Area

54.096

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

Y020-6484 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y020-6484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6484?
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What is the minimum amount of Y020-6484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6484
  • 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 Y020-6484 available by request