Y020-8602 Screening compound: 3-(3-pyridylmethyl)-1-(tetrahydro-2-furanylmethyl)-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a][1,3]benzimidazole

Y020-8602 Screening compound: 3-(3-pyridylmethyl)-1-(tetrahydro-2-furanylmethyl)-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a][1,3]benzimidazole
Y020-8602 Screening compound: 3-(3-pyridylmethyl)-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 Y020-8602
3-(3-pyridylmethyl)-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

Y020-8602

Molecular Formula

C20H23N5O (C20 H23 N5 O)

Compound Name

3-(3-pyridylmethyl)-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-[(pyridin-3-yl)methyl]-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-2468-tetraene

SMILES

C(C1OCCC1)N1c2nc(cccc3)c3n2CN(Cc2cnccc2)C1

InChI

InChI=1S/C20H23N5O/c1-2-8-19-18(7-1)22-20-24(13-17-6-4-10-26-17)14-23(15-25(19)20)12-16-5-3-9-21-11-16/h1-3,5,7-9,11,17H,4,6,10,12-15H2/t17-/m1/s1

InChI Key

RLJAUVFULRGUHM-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD09430677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.750

Distribution Coefficient, logD

2.130

Water Solubility, LogSw

-2.45

Polar Surface Area

35.921

Acid Dissociation Constant (pKa)

23.25

Base Dissociation Constant (pKb)

7.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

Y020-8602 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with Y020-8602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-8602?
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What is the minimum amount of Y020-8602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-8602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-8602
  • 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 Y020-8602 available by request