G598-0207 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-{[4-(propan-2-yloxy)phenyl]methyl}acetamide

G598-0207 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-{[4-(propan-2-yloxy)phenyl]methyl}acetamide
G598-0207 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-{[4-(propan-2-yloxy)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G598-0207
2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-{[4-(propan-2-yloxy)phenyl]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

G598-0207

Molecular Formula

C28H28N6O3 (C28 H28 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-{[4-(propan-2-yloxy)phenyl]methyl}acetamide

IUPAC name

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

SMILES

CC(C)Oc1ccc(CNC(CN(C(c2c3-n4cccc4)=O)N=C(C)c2nn3-c2ccccc2)=O)cc1

InChI

InChI=1S/C28H28N6O3/c1-19(2)37-23-13-11-21(12-14-23)17-29-24(35)18-33-28(36)25-26(20(3)30-33)31-34(22-9-5-4-6-10-22)27(25)32-15-7-8-16-32/h4-16,19H,17-18H2,1-3H3,(H,29,35)

InChI Key

QVCAAPCEMVCDAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27145704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.57

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

4.067

Distribution Coefficient, logD

4.067

Water Solubility, LogSw

-4.21

Polar Surface Area

75.408

Acid Dissociation Constant (pKa)

14.63

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

G598-0207 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 G598-0207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G598-0207?
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What is the minimum amount of G598-0207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G598-0207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G598-0207
  • 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 G598-0207 available by request