G598-0229 Screening compound: 7-methyl-5-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one

G598-0229 Screening compound: 7-methyl-5-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one
G598-0229 Screening compound: 7-methyl-5-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G598-0229
7-methyl-5-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenyl-3-(1H-pyrrol-1-yl)-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

G598-0229

Molecular Formula

C24H27N7O2 (C24 H27 N7 O2)

Compound Name

7-methyl-5-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one

IUPAC name

7-methyl-5-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenyl-3-(1H-pyrrol-1-yl)-2H4H5H-pyrazolo[34-d]pyridazin-4-one

SMILES

CC(C(N1CCN(C)CC1)=O)N(C(c1c2-n3cccc3)=O)N=C(C)c1nn2-c1ccccc1

InChI

InChI=1S/C24H27N7O2/c1-17-21-20(22(28-11-7-8-12-28)31(26-21)19-9-5-4-6-10-19)24(33)30(25-17)18(2)23(32)29-15-13-27(3)14-16-29/h4-12,18H,13-16H2,1-3H3/t18-/m0/s1

InChI Key

AUHZTTRVZBDJEJ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27145707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.289

Distribution Coefficient, logD

2.095

Water Solubility, LogSw

-2.43

Polar Surface Area

63.064

Acid Dissociation Constant (pKa)

14.36

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

G598-0229 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Antibacterial Compounds Library (13827 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Infections
  • Immune system
  • animal
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G598-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G598-0229?
Check Price and Availability of G598-0229, 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 G598-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G598-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G598-0229
  • 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 G598-0229 available by request