G598-0179 Screening compound: 2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[3-(piperidin-1-yl)propyl]acetamide

G598-0179 Screening compound: 2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[3-(piperidin-1-yl)propyl]acetamide
G598-0179 Screening compound: 2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[3-(piperidin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G598-0179
2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[3-(piperidin-1-yl)propyl]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

G598-0179

Molecular Formula

C26H31N7O2 (C26 H31 N7 O2)

Compound Name

2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[3-(piperidin-1-yl)propyl]acetamide

IUPAC name

2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H4H5H-pyrazolo[34-d]pyridazin-5-yl]-N-[3-(piperidin-1-yl)propyl]acetamide

SMILES

CC(c(c1c2-n3cccc3)nn2-c2ccccc2)=NN(CC(NCCCN2CCCCC2)=O)C1=O

InChI

InChI=1S/C26H31N7O2/c1-20-24-23(25(31-17-8-9-18-31)33(29-24)21-11-4-2-5-12-21)26(35)32(28-20)19-22(34)27-13-10-16-30-14-6-3-7-15-30/h2,4-5,8-9,11-12,17-18H,3,6-7,10,13-16,19H2,1H3,(H,27,34)

InChI Key

GYBLMAUVRBYFJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27145698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.544

Distribution Coefficient, logD

-0.110

Water Solubility, LogSw

-2.69

Polar Surface Area

72.429

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

10.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

G598-0179 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G598-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G598-0179?
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What is the minimum amount of G598-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G598-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G598-0179
  • 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 G598-0179 available by request