D172-0070 Screening compound: 1-[(4-fluorophenyl)methyl]-4-methyl-N-[(4-methylphenyl)methyl]-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-amine

D172-0070 Screening compound: 1-[(4-fluorophenyl)methyl]-4-methyl-N-[(4-methylphenyl)methyl]-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-amine
D172-0070 Screening compound: 1-[(4-fluorophenyl)methyl]-4-methyl-N-[(4-methylphenyl)methyl]-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D172-0070
1-[(4-fluorophenyl)methyl]-4-methyl-N-[(4-methylphenyl)methyl]-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-amine

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

D172-0070

Molecular Formula

C20H19FN6 (C20 H19 FN6)

Compound Name

1-[(4-fluorophenyl)methyl]-4-methyl-N-[(4-methylphenyl)methyl]-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-amine

IUPAC name

1-[(4-fluorophenyl)methyl]-4-methyl-N-[(4-methylphenyl)methyl]-1H-[123]triazolo[45-d]pyridazin-7-amine

SMILES

Cc1ccc(CNc2c3n(Cc(cc4)ccc4F)nnc3c(C)nn2)cc1

InChI

InChI=1S/C20H19FN6/c1-13-3-5-15(6-4-13)11-22-20-19-18(14(2)23-25-20)24-26-27(19)12-16-7-9-17(21)10-8-16/h3-10H,11-12H2,1-2H3,(H,22,25)

InChI Key

XXGQPGXQNLYPOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.720

Distribution Coefficient, logD

2.720

Water Solubility, LogSw

-2.79

Polar Surface Area

59.405

Acid Dissociation Constant (pKa)

14.49

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D172-0070 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

C-Met Library (15277 compounds)

Human Proteases Annotated Library (2868 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D172-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D172-0070?
Check Price and Availability of D172-0070, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D172-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D172-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D172-0070
  • 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 D172-0070 available by request