Y020-8611 Screening compound: 1-(tetrahydro-2-furanylmethyl)-3-[2-(2-thienyl)ethyl]-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a][1,3]benzimidazole

Y020-8611 Screening compound: 1-(tetrahydro-2-furanylmethyl)-3-[2-(2-thienyl)ethyl]-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a][1,3]benzimidazole
Y020-8611 Screening compound: 1-(tetrahydro-2-furanylmethyl)-3-[2-(2-thienyl)ethyl]-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-8611
1-(tetrahydro-2-furanylmethyl)-3-[2-(2-thienyl)ethyl]-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

Y020-8611

Molecular Formula

C20H24N4OS (C20 H24 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

C(CN1CN(CC2OCCC2)c2nc(cccc3)c3n2C1)c1cccs1

InChI

InChI=1S/C20H24N4OS/c1-2-8-19-18(7-1)21-20-23(13-16-5-3-11-25-16)14-22(15-24(19)20)10-9-17-6-4-12-26-17/h1-2,4,6-8,12,16H,3,5,9-11,13-15H2/t16-/m1/s1

InChI Key

VDJLIEZTFCVUHV-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD09430696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.200

Distribution Coefficient, logD

3.232

Water Solubility, LogSw

-4.15

Polar Surface Area

27.400

Acid Dissociation Constant (pKa)

23.45

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

Y020-8611 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y020-8611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-8611?
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What is the minimum amount of Y020-8611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-8611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-8611
  • 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 Y020-8611 available by request