C799-0511 Screening compound: 2-(2,4-dimethylphenyl)-3,7-dimethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one

C799-0511 Screening compound: 2-(2,4-dimethylphenyl)-3,7-dimethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one
C799-0511 Screening compound: 2-(2,4-dimethylphenyl)-3,7-dimethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C799-0511
2-(2,4-dimethylphenyl)-3,7-dimethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H,4H,5H-pyrazolo[3,4-d]pyridazin-4-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

C799-0511

Molecular Formula

C27H30N6O2 (C27 H30 N6 O2)

Compound Name

2-(2,4-dimethylphenyl)-3,7-dimethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one

IUPAC name

2-(24-dimethylphenyl)-37-dimethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H4H5H-pyrazolo[34-d]pyridazin-4-one

SMILES

Cc(n(-c1c(C)cc(C)cc1)nc1C(C)=NN2CC(N(CC3)CCN3c3ccccc3)=O)c1C2=O

InChI

InChI=1S/C27H30N6O2/c1-18-10-11-23(19(2)16-18)33-21(4)25-26(29-33)20(3)28-32(27(25)35)17-24(34)31-14-12-30(13-15-31)22-8-6-5-7-9-22/h5-11,16H,12-15,17H2,1-4H3

InChI Key

NTPSCTNFOIFTTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799558

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

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.622

Distribution Coefficient, logD

3.622

Water Solubility, LogSw

-3.99

Polar Surface Area

60.694

Acid Dissociation Constant (pKa)

16.35

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C799-0511 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C799-0511
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C799-0511
  • 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 C799-0511 available by request