M454-0962 Screening compound: 3-[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-{[4-(propan-2-yl)phenyl]methyl}propanamide

M454-0962 Screening compound: 3-[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-{[4-(propan-2-yl)phenyl]methyl}propanamide
M454-0962 Screening compound: 3-[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-{[4-(propan-2-yl)phenyl]methyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M454-0962
3-[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-{[4-(propan-2-yl)phenyl]methyl}propanamide

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

M454-0962

Molecular Formula

C26H29N5O (C26 H29 N5 O)

Compound Name

3-[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-{[4-(propan-2-yl)phenyl]methyl}propanamide

IUPAC name

3-[6-(34-dimethylphenyl)-[124]triazolo[43-b]pyridazin-3-yl]-N-{[4-(propan-2-yl)phenyl]methyl}propanamide

SMILES

CC(C)c1ccc(CNC(CCc2nnc(cc3)n2nc3-c2cc(C)c(C)cc2)=O)cc1

InChI

InChI=1S/C26H29N5O/c1-17(2)21-9-6-20(7-10-21)16-27-26(32)14-13-25-29-28-24-12-11-23(30-31(24)25)22-8-5-18(3)19(4)15-22/h5-12,15,17H,13-14,16H2,1-4H3,(H,27,32)

InChI Key

PCMBEVYIJCFELA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22593327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.794

Distribution Coefficient, logD

4.794

Water Solubility, LogSw

-4.43

Polar Surface Area

57.573

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with M454-0962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M454-0962?
Check Price and Availability of M454-0962, 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 M454-0962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M454-0962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M454-0962
  • 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 M454-0962 available by request