M452-1245 Screening compound: 6-(3,4-dimethylphenyl)-2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

M452-1245 Screening compound: 6-(3,4-dimethylphenyl)-2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
M452-1245 Screening compound: 6-(3,4-dimethylphenyl)-2-{2-[4-(4-fluorophenyl)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 M452-1245
6-(3,4-dimethylphenyl)-2-{2-[4-(4-fluorophenyl)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

M452-1245

Molecular Formula

C25H25FN6O2 (C25 H25 FN6 O2)

Compound Name

6-(3,4-dimethylphenyl)-2-{2-[4-(4-fluorophenyl)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-fluorophenyl)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)ccc3F)=O)=NN1C2=O

InChI

InChI=1S/C25H25FN6O2/c1-17-3-4-19(15-18(17)2)22-9-10-23-28-31(25(34)32(23)27-22)16-24(33)30-13-11-29(12-14-30)21-7-5-20(26)6-8-21/h3-10,15H,11-14,16H2,1-2H3

InChI Key

IRIPMSCKDBOYKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22593240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.119

Distribution Coefficient, logD

4.119

Water Solubility, LogSw

-4.19

Polar Surface Area

64.410

Acid Dissociation Constant (pKa)

19.16

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

M452-1245 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M452-1245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M452-1245?
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What is the minimum amount of M452-1245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M452-1245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M452-1245
  • 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 M452-1245 available by request