M452-1242 Screening compound: 6-(3,4-dimethylphenyl)-2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

M452-1242 Screening compound: 6-(3,4-dimethylphenyl)-2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
M452-1242 Screening compound: 6-(3,4-dimethylphenyl)-2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M452-1242
6-(3,4-dimethylphenyl)-2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-3-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

M452-1242

Molecular Formula

C26H28N6O3 (C26 H28 N6 O3)

Compound Name

6-(3,4-dimethylphenyl)-2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

IUPAC name

6-(34-dimethylphenyl)-2-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H3H-[124]triazolo[43-b]pyridazin-3-one

SMILES

Cc(cc1)c(C)cc1C(C=CC1=NN2CC(N(CC3)CCN3c(cc3)ccc3OC)=O)=NN1C2=O

InChI

InChI=1S/C26H28N6O3/c1-18-4-5-20(16-19(18)2)23-10-11-24-28-31(26(34)32(24)27-23)17-25(33)30-14-12-29(13-15-30)21-6-8-22(35-3)9-7-21/h4-11,16H,12-15,17H2,1-3H3

InChI Key

KBHDHXGQSLZRBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.072

Distribution Coefficient, logD

4.072

Water Solubility, LogSw

-4.20

Polar Surface Area

71.953

Acid Dissociation Constant (pKa)

19.16

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

M452-1242 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M452-1242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M452-1242?
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What is the minimum amount of M452-1242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M452-1242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M452-1242
  • 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 M452-1242 available by request