Y021-0679 Screening compound: 1-(2-methoxyethyl)-3-(3-pyridylmethyl)-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a][1,3]benzimidazole

Y021-0679 Screening compound: 1-(2-methoxyethyl)-3-(3-pyridylmethyl)-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a][1,3]benzimidazole
Y021-0679 Screening compound: 1-(2-methoxyethyl)-3-(3-pyridylmethyl)-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-0679
1-(2-methoxyethyl)-3-(3-pyridylmethyl)-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

Y021-0679

Molecular Formula

C18H21N5O (C18 H21 N5 O)

Compound Name

1-(2-methoxyethyl)-3-(3-pyridylmethyl)-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a][1,3]benzimidazole

IUPAC name

10-(2-methoxyethyl)-12-[(pyridin-3-yl)methyl]-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-2468-tetraene

SMILES

COCCN1c2nc(cccc3)c3n2CN(Cc2cnccc2)C1

InChI

InChI=1S/C18H21N5O/c1-24-10-9-22-13-21(12-15-5-4-8-19-11-15)14-23-17-7-3-2-6-16(17)20-18(22)23/h2-8,11H,9-10,12-14H2,1H3

InChI Key

OVETUPFEPHYCSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09430671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.603

Distribution Coefficient, logD

1.869

Water Solubility, LogSw

-2.29

Polar Surface Area

35.859

Acid Dissociation Constant (pKa)

23.29

Base Dissociation Constant (pKb)

8.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

Y021-0679 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

BRD4 Targeted Library (4534 compounds)

CNS BBB Library (22607 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y021-0679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-0679?
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What is the minimum amount of Y021-0679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-0679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-0679
  • 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 Y021-0679 available by request