Y020-8628 Screening compound: 4-{2-[3-[2-(2-thienyl)ethyl]-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-1(2H)-yl]ethyl}morpholine

Y020-8628 Screening compound: 4-{2-[3-[2-(2-thienyl)ethyl]-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-1(2H)-yl]ethyl}morpholine
Y020-8628 Screening compound: 4-{2-[3-[2-(2-thienyl)ethyl]-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-1(2H)-yl]ethyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-8628
4-{2-[3-[2-(2-thienyl)ethyl]-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-1(2H)-yl]ethyl}morpholine

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

Y020-8628

Molecular Formula

C21H27N5OS (C21 H27 N5 OS)

Compound Name

4-{2-[3-[2-(2-thienyl)ethyl]-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-1(2H)-yl]ethyl}morpholine

IUPAC name

10-[2-(morpholin-4-yl)ethyl]-12-[2-(thiophen-2-yl)ethyl]-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-2468-tetraene

SMILES

C(CN1CN(CCN2CCOCC2)c2nc(cccc3)c3n2C1)c1cccs1

InChI

InChI=1S/C21H27N5OS/c1-2-6-20-19(5-1)22-21-25(10-9-23-11-13-27-14-12-23)16-24(17-26(20)21)8-7-18-4-3-15-28-18/h1-6,15H,7-14,16-17H2

InChI Key

FXZPMOGRWSAOER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09438713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.704

Distribution Coefficient, logD

2.131

Water Solubility, LogSw

-3.92

Polar Surface Area

30.615

Acid Dissociation Constant (pKa)

23.70

Base Dissociation Constant (pKb)

8.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

Y020-8628 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)

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-8628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-8628?
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What is the minimum amount of Y020-8628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-8628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-8628
  • 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 Y020-8628 available by request