T473-0254 Screening compound: [4-(3-cyclopropyl[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazino](2-thienyl)methanone

T473-0254 Screening compound: [4-(3-cyclopropyl[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazino](2-thienyl)methanone
T473-0254 Screening compound: [4-(3-cyclopropyl[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazino](2-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T473-0254
[4-(3-cyclopropyl[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazino](2-thienyl)methanone

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

T473-0254

Molecular Formula

C17H18N6OS (C17 H18 N6 OS)

Compound Name

[4-(3-cyclopropyl[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazino](2-thienyl)methanone

IUPAC name

1-{3-cyclopropyl-[124]triazolo[43-b]pyridazin-7-yl}-4-(thiophene-2-carbonyl)piperazine

SMILES

O=C(c1cccs1)N(CC1)CCN1c1cc2nnc(C3CC3)n2nc1

InChI

InChI Key

XVIUTAJRDRCQNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29024215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.762

Distribution Coefficient, logD

1.762

Water Solubility, LogSw

-2.22

Polar Surface Area

54.071

Acid Dissociation Constant (pKa)

21.57

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

T473-0254 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with T473-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T473-0254?
Check Price and Availability of T473-0254, 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 T473-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T473-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T473-0254
  • 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 T473-0254 available by request