Y020-8606 Screening compound: 3-isopropyl-1-(tetrahydro-2-furanylmethyl)-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a][1,3]benzimidazole

Y020-8606 Screening compound: 3-isopropyl-1-(tetrahydro-2-furanylmethyl)-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a][1,3]benzimidazole
Y020-8606 Screening compound: 3-isopropyl-1-(tetrahydro-2-furanylmethyl)-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-8606
3-isopropyl-1-(tetrahydro-2-furanylmethyl)-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a][1,3]benzimidazole

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

Y020-8606

Molecular Formula

C17H24N4O (C17 H24 N4 O)

Compound Name

3-isopropyl-1-(tetrahydro-2-furanylmethyl)-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a][1,3]benzimidazole

IUPAC name

10-[(oxolan-2-yl)methyl]-12-(propan-2-yl)-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-2468-tetraene

SMILES

CC(C)N1CN(CC2OCCC2)c2nc(cccc3)c3n2C1

InChI

InChI=1S/C17H24N4O/c1-13(2)20-11-19(10-14-6-5-9-22-14)17-18-15-7-3-4-8-16(15)21(17)12-20/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3/t14-/m1/s1

InChI Key

LPSHCAILUVKNSV-CQSZACIVSA-N

MDL Number (MFCD)

MFCD09430688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.314

Distribution Coefficient, logD

0.666

Water Solubility, LogSw

-3.44

Polar Surface Area

26.727

Acid Dissociation Constant (pKa)

23.45

Base Dissociation Constant (pKb)

10.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

Y020-8606 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

BRD4 Targeted Library (4534 compounds)

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

DGK Inhibitors Library (10558 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y020-8606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-8606?
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What is the minimum amount of Y020-8606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-8606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-8606
  • 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 Y020-8606 available by request