D172-0066 Screening compound: N-BENZYL-1-[(4-FLUOROPHENYL)METHYL]-4-METHYL-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIDAZIN-7-AMINE

D172-0066 Screening compound: N-BENZYL-1-[(4-FLUOROPHENYL)METHYL]-4-METHYL-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIDAZIN-7-AMINE
D172-0066 Screening compound: N-BENZYL-1-[(4-FLUOROPHENYL)METHYL]-4-METHYL-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIDAZIN-7-AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound D172-0066
N-BENZYL-1-[(4-FLUOROPHENYL)METHYL]-4-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

D172-0066

Molecular Formula

C19H17FN6 (C19 H17 FN6)

Compound Name

N-BENZYL-1-[(4-FLUOROPHENYL)METHYL]-4-METHYL-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIDAZIN-7-AMINE

IUPAC name

n/a

SMILES

Cc1c2nnn(Cc(cc3)ccc3F)c2c(NCc2ccccc2)nn1

InChI

InChI=1S/C19H17FN6/c1-13-17-18(19(24-22-13)21-11-14-5-3-2-4-6-14)26(25-23-17)12-15-7-9-16(20)10-8-15/h2-10H,11-12H2,1H3,(H,21,24)

InChI Key

MVMIFEBFKDFYCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.38

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

2.296

Distribution Coefficient, logD

2.296

Water Solubility, LogSw

-2.28

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

15.80

D172-0066 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

C-Met Library (15277 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Agro:
  • Agro
  • Agro
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D172-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D172-0066?
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What is the minimum amount of D172-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D172-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D172-0066
  • 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 D172-0066 available by request