Y020-8726 Screening compound: 2-[1-(4-methoxyphenethyl)-2-oxo-2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-3-yl]-N~1~-phenethylacetamide

Y020-8726 Screening compound: 2-[1-(4-methoxyphenethyl)-2-oxo-2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-3-yl]-N~1~-phenethylacetamide
Y020-8726 Screening compound: 2-[1-(4-methoxyphenethyl)-2-oxo-2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-3-yl]-N~1~-phenethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-8726
2-[1-(4-methoxyphenethyl)-2-oxo-2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-3-yl]-N~1~-phenethylacetamide

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

Y020-8726

Molecular Formula

C28H28N4O3 (C28 H28 N4 O3)

Compound Name

2-[1-(4-methoxyphenethyl)-2-oxo-2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-3-yl]-N~1~-phenethylacetamide

IUPAC name

2-{5-[2-(4-methoxyphenyl)ethyl]-4-oxo-257-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-3-yl}-N-(2-phenylethyl)acetamide

SMILES

COc1ccc(CCN2c3nc(cccc4)c4n3C(CC(NCCc3ccccc3)=O)C2=O)cc1

InChI

InChI=1S/C28H28N4O3/c1-35-22-13-11-21(12-14-22)16-18-31-27(34)25(32-24-10-6-5-9-23(24)30-28(31)32)19-26(33)29-17-15-20-7-3-2-4-8-20/h2-14,25H,15-19H2,1H3,(H,29,33)/t25-/m0/s1

InChI Key

CGPYQSXIERKOKT-VWLOTQADSA-N

MDL Number (MFCD)

MFCD11082317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.671

Distribution Coefficient, logD

3.663

Water Solubility, LogSw

-3.93

Polar Surface Area

57.973

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

3.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y020-8726 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Nucleic Acid Ligands (8311 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y020-8726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-8726?
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What is the minimum amount of Y020-8726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-8726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-8726
  • 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 Y020-8726 available by request