T473-1389 Screening compound: 3-cyclopropyl-7-{4-[4-(trifluoromethyl)benzyl]piperazino}[1,2,4]triazolo[4,3-b]pyridazine

T473-1389 Screening compound: 3-cyclopropyl-7-{4-[4-(trifluoromethyl)benzyl]piperazino}[1,2,4]triazolo[4,3-b]pyridazine
T473-1389 Screening compound: 3-cyclopropyl-7-{4-[4-(trifluoromethyl)benzyl]piperazino}[1,2,4]triazolo[4,3-b]pyridazine alternative view

Chemical Structure Depiction of ChemDiv screening compound T473-1389
3-cyclopropyl-7-{4-[4-(trifluoromethyl)benzyl]piperazino}[1,2,4]triazolo[4,3-b]pyridazine

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

T473-1389

Molecular Formula

C20H21F3N6 (C20 H21 F3 N6)

Compound Name

3-cyclopropyl-7-{4-[4-(trifluoromethyl)benzyl]piperazino}[1,2,4]triazolo[4,3-b]pyridazine

IUPAC name

1-{3-cyclopropyl-[124]triazolo[43-b]pyridazin-7-yl}-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine

SMILES

FC(c1ccc(CN(CC2)CCN2c2cc3nnc(C4CC4)n3nc2)cc1)(F)F

InChI

InChI=1S/C20H21F3N6/c21-20(22,23)16-5-1-14(2-6-16)13-27-7-9-28(10-8-27)17-11-18-25-26-19(15-3-4-15)29(18)24-12-17/h1-2,5-6,11-12,15H,3-4,7-10,13H2

InChI Key

BQEYUBVDLCBOSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29024180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.023

Distribution Coefficient, logD

2.727

Water Solubility, LogSw

-2.90

Polar Surface Area

40.137

Acid Dissociation Constant (pKa)

21.57

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

T473-1389 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with T473-1389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T473-1389?
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What is the minimum amount of T473-1389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T473-1389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T473-1389
  • 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 T473-1389 available by request