D172-0030 Screening compound: 1-{1-[(4-fluorophenyl)methyl]-4-methyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-yl}-4-phenylpiperazine

D172-0030 Screening compound: 1-{1-[(4-fluorophenyl)methyl]-4-methyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-yl}-4-phenylpiperazine
D172-0030 Screening compound: 1-{1-[(4-fluorophenyl)methyl]-4-methyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-yl}-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D172-0030
1-{1-[(4-fluorophenyl)methyl]-4-methyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-yl}-4-phenylpiperazine

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

D172-0030

Molecular Formula

C22H22FN7 (C22 H22 FN7)

Compound Name

1-{1-[(4-fluorophenyl)methyl]-4-methyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-yl}-4-phenylpiperazine

IUPAC name

1-{1-[(4-fluorophenyl)methyl]-4-methyl-1H-[123]triazolo[45-d]pyridazin-7-yl}-4-phenylpiperazine

SMILES

Cc1c2nnn(Cc(cc3)ccc3F)c2c(N(CC2)CCN2c2ccccc2)nn1

InChI

InChI=1S/C22H22FN7/c1-16-20-21(30(27-25-20)15-17-7-9-18(23)10-8-17)22(26-24-16)29-13-11-28(12-14-29)19-5-3-2-4-6-19/h2-10H,11-15H2,1H3

InChI Key

IJJQVBCHOQDPHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.085

Distribution Coefficient, logD

3.085

Water Solubility, LogSw

-2.88

Polar Surface Area

55.176

Acid Dissociation Constant (pKa)

22.17

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D172-0030 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D172-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D172-0030?
Check Price and Availability of D172-0030, 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 D172-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D172-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D172-0030
  • 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 D172-0030 available by request