G598-0890 Screening compound: N-[2-(dimethylamino)ethyl]-2-[7-methyl-2-(4-methylphenyl)-4-oxo-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]acetamide

G598-0890 Screening compound: N-[2-(dimethylamino)ethyl]-2-[7-methyl-2-(4-methylphenyl)-4-oxo-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]acetamide
G598-0890 Screening compound: N-[2-(dimethylamino)ethyl]-2-[7-methyl-2-(4-methylphenyl)-4-oxo-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G598-0890
N-[2-(dimethylamino)ethyl]-2-[7-methyl-2-(4-methylphenyl)-4-oxo-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]acetamide

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

G598-0890

Molecular Formula

C23H27N7O2 (C23 H27 N7 O2)

Compound Name

N-[2-(dimethylamino)ethyl]-2-[7-methyl-2-(4-methylphenyl)-4-oxo-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]acetamide

IUPAC name

N-[2-(dimethylamino)ethyl]-2-[7-methyl-2-(4-methylphenyl)-4-oxo-3-(1H-pyrrol-1-yl)-2H4H5H-pyrazolo[34-d]pyridazin-5-yl]acetamide

SMILES

Cc(cc1)ccc1-n(c(-n1cccc1)c12)nc2C(C)=NN(CC(NCCN(C)C)=O)C1=O

InChI

InChI=1S/C23H27N7O2/c1-16-7-9-18(10-8-16)30-22(28-12-5-6-13-28)20-21(26-30)17(2)25-29(23(20)32)15-19(31)24-11-14-27(3)4/h5-10,12-13H,11,14-15H2,1-4H3,(H,24,31)

InChI Key

FAXWBNWIYWRLER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.122

Distribution Coefficient, logD

0.787

Water Solubility, LogSw

-2.75

Polar Surface Area

72.584

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

G598-0890 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G598-0890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G598-0890?
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What is the minimum amount of G598-0890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G598-0890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G598-0890
  • 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 G598-0890 available by request