Y020-8649 Screening compound: N-{3-[6-(4-fluorophenyl)-4,6-dihydro-1H-[1,3,5]triazino[1',2':3,4][1,3,5]triazino[1,2-a][1,3]benzimidazol-2(3H)-yl]propyl}-N,N-dimethylamine

Y020-8649 Screening compound: N-{3-[6-(4-fluorophenyl)-4,6-dihydro-1H-[1,3,5]triazino[1',2':3,4][1,3,5]triazino[1,2-a][1,3]benzimidazol-2(3H)-yl]propyl}-N,N-dimethylamine
Y020-8649 Screening compound: N-{3-[6-(4-fluorophenyl)-4,6-dihydro-1H-[1,3,5]triazino[1',2':3,4][1,3,5]triazino[1,2-a][1,3]benzimidazol-2(3H)-yl]propyl}-N,N-dimethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-8649
N-{3-[6-(4-fluorophenyl)-4,6-dihydro-1H-[1,3,5]triazino[1',2':3,4][1,3,5]triazino[1,2-a][1,3]benzimidazol-2(3H)-yl]propyl}-N,N-dimethylamine

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

Y020-8649

Molecular Formula

C22H26FN7 (C22 H26 FN7)

Compound Name

N-{3-[6-(4-fluorophenyl)-4,6-dihydro-1H-[1,3,5]triazino[1',2':3,4][1,3,5]triazino[1,2-a][1,3]benzimidazol-2(3H)-yl]propyl}-N,N-dimethylamine

IUPAC name

{3-[9-(4-fluorophenyl)-24681017-hexaazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1(17)7111315-pentaen-4-yl]propyl}dimethylamine

SMILES

CN(C)CCCN(CN1)CN2C1=NC(c(cc1)ccc1F)n1c2nc2c1cccc2

InChI

InChI=1S/C22H26FN7/c1-27(2)12-5-13-28-14-24-21-26-20(16-8-10-17(23)11-9-16)30-19-7-4-3-6-18(19)25-22(30)29(21)15-28/h3-4,6-11,20H,5,12-15H2,1-2H3,(H,24,26)/t20-/m1/s1

InChI Key

JODJZWPHIPHQMX-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD09430845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.558

Distribution Coefficient, logD

2.228

Water Solubility, LogSw

-3.55

Polar Surface Area

42.778

Acid Dissociation Constant (pKa)

17.95

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

Y020-8649 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y020-8649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-8649?
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What is the minimum amount of Y020-8649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-8649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-8649
  • 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 Y020-8649 available by request