D172-0071 Screening compound: N,1-bis[(4-fluorophenyl)methyl]-4-methyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-amine

D172-0071 Screening compound: N,1-bis[(4-fluorophenyl)methyl]-4-methyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-amine
D172-0071 Screening compound: N,1-bis[(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 D172-0071
N,1-bis[(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

D172-0071

Molecular Formula

C19H16F2N6 (C19 H16 F2 N6)

Compound Name

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

IUPAC name

N1-bis[(4-fluorophenyl)methyl]-4-methyl-1H-[123]triazolo[45-d]pyridazin-7-amine

SMILES

Cc1c2nnn(Cc(cc3)ccc3F)c2c(NCc(cc2)ccc2F)nn1

InChI

InChI=1S/C19H16F2N6/c1-12-17-18(27(26-24-17)11-14-4-8-16(21)9-5-14)19(25-23-12)22-10-13-2-6-15(20)7-3-13/h2-9H,10-11H2,1H3,(H,22,25)

InChI Key

QZWRABOBHIPJMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.37

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

2.325

Distribution Coefficient, logD

2.325

Water Solubility, LogSw

-2.44

Polar Surface Area

59.405

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

D172-0071 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

C-Met Library (15277 compounds)

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Others
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D172-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D172-0071?
Check Price and Availability of D172-0071, 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 D172-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D172-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D172-0071
  • 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 D172-0071 available by request