G598-0104 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-[(oxolan-2-yl)methyl]acetamide

G598-0104 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-[(oxolan-2-yl)methyl]acetamide
G598-0104 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-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G598-0104
2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[(oxolan-2-yl)methyl]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

G598-0104

Molecular Formula

C23H24N6O3 (C23 H24 N6 O3)

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-[(oxolan-2-yl)methyl]acetamide

IUPAC name

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

SMILES

CC(c(c1c2-n3cccc3)nn2-c2ccccc2)=NN(CC(NCC2OCCC2)=O)C1=O

InChI

InChI=1S/C23H24N6O3/c1-16-21-20(23(31)28(25-16)15-19(30)24-14-18-10-7-13-32-18)22(27-11-5-6-12-27)29(26-21)17-8-3-2-4-9-17/h2-6,8-9,11-12,18H,7,10,13-15H2,1H3,(H,24,30)/t18-/m1/s1

InChI Key

JBRVOKFYRWTYCJ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27145689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.856

Distribution Coefficient, logD

1.856

Water Solubility, LogSw

-2.35

Polar Surface Area

77.260

Acid Dissociation Constant (pKa)

14.81

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

G598-0104 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G598-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G598-0104?
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What is the minimum amount of G598-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G598-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G598-0104
  • 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 G598-0104 available by request