G598-0197 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]acetamide

G598-0197 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]acetamide
G598-0197 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-2-[7-methyl-4-oxo-2-phenyl-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 G598-0197
N-[(2,5-dimethoxyphenyl)methyl]-2-[7-methyl-4-oxo-2-phenyl-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

G598-0197

Molecular Formula

C27H26N6O4 (C27 H26 N6 O4)

Compound Name

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

IUPAC name

N-[(25-dimethoxyphenyl)methyl]-2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H4H5H-pyrazolo[34-d]pyridazin-5-yl]acetamide

SMILES

CC(c(c1c2-n3cccc3)nn2-c2ccccc2)=NN(CC(NCc(cc(cc2)OC)c2OC)=O)C1=O

InChI

InChI=1S/C27H26N6O4/c1-18-25-24(26(31-13-7-8-14-31)33(30-25)20-9-5-4-6-10-20)27(35)32(29-18)17-23(34)28-16-19-15-21(36-2)11-12-22(19)37-3/h4-15H,16-17H2,1-3H3,(H,28,34)

InChI Key

OYPUPDJDKHGSFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27145701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.600

Distribution Coefficient, logD

3.600

Water Solubility, LogSw

-3.93

Polar Surface Area

83.780

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

G598-0197 in Drug Discovery

Included in Screening Libraries

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 G598-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G598-0197?
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What is the minimum amount of G598-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G598-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G598-0197
  • 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 G598-0197 available by request