M454-0317 Screening compound: 3-[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one

M454-0317 Screening compound: 3-[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
M454-0317 Screening compound: 3-[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M454-0317
3-[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one

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

M454-0317

Molecular Formula

C27H30N6O2 (C27 H30 N6 O2)

Compound Name

3-[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one

IUPAC name

3-[6-(34-dimethylphenyl)-[124]triazolo[43-b]pyridazin-3-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one

SMILES

Cc(cc1)c(C)cc1-c(cc1)nn2c1nnc2CCC(N(CC1)CCN1c1cc(OC)ccc1)=O

InChI

InChI=1S/C27H30N6O2/c1-19-7-8-21(17-20(19)2)24-9-10-25-28-29-26(33(25)30-24)11-12-27(34)32-15-13-31(14-16-32)22-5-4-6-23(18-22)35-3/h4-10,17-18H,11-16H2,1-3H3

InChI Key

SBMYFLOXGMDVRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22593302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.792

Distribution Coefficient, logD

3.792

Water Solubility, LogSw

-3.98

Polar Surface Area

60.298

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M454-0317 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M454-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M454-0317?
Check Price and Availability of M454-0317, 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 M454-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M454-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M454-0317
  • 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 M454-0317 available by request