D172-0092 Screening compound: 1-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(2-methylphenyl)ethyl]-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-amine

D172-0092 Screening compound: 1-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(2-methylphenyl)ethyl]-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-amine
D172-0092 Screening compound: 1-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(2-methylphenyl)ethyl]-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D172-0092
1-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(2-methylphenyl)ethyl]-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

D172-0092

Molecular Formula

C21H21FN6 (C21 H21 FN6)

Compound Name

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

IUPAC name

1-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(2-methylphenyl)ethyl]-1H-[123]triazolo[45-d]pyridazin-7-amine

SMILES

Cc1c(CCNc2c3n(Cc(cc4)ccc4F)nnc3c(C)nn2)cccc1

InChI

InChI=1S/C21H21FN6/c1-14-5-3-4-6-17(14)11-12-23-21-20-19(15(2)24-26-21)25-27-28(20)13-16-7-9-18(22)10-8-16/h3-10H,11-13H2,1-2H3,(H,23,26)

InChI Key

JNEAFBROJFCSHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.606

Distribution Coefficient, logD

3.606

Water Solubility, LogSw

-3.44

Polar Surface Area

59.246

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D172-0092 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

C-Met Library (15277 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Nervous system
Agro:
  • Agro
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D172-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D172-0092?
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What is the minimum amount of D172-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D172-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D172-0092
  • 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 D172-0092 available by request