G598-0319 Screening compound: N-(2-methoxyethyl)-2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]propanamide

G598-0319 Screening compound: N-(2-methoxyethyl)-2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]propanamide
G598-0319 Screening compound: N-(2-methoxyethyl)-2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G598-0319
N-(2-methoxyethyl)-2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]propanamide

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

G598-0319

Molecular Formula

C22H24N6O3 (C22 H24 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C(NCCOC)=O)N(C(c1c2-n3cccc3)=O)N=C(C)c1nn2-c1ccccc1

InChI

InChI=1S/C22H24N6O3/c1-15-19-18(22(30)27(24-15)16(2)20(29)23-11-14-31-3)21(26-12-7-8-13-26)28(25-19)17-9-5-4-6-10-17/h4-10,12-13,16H,11,14H2,1-3H3,(H,23,29)/t16-/m0/s1

InChI Key

BIVHZZRJFLLOAT-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27145719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.47

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

2.344

Distribution Coefficient, logD

2.344

Water Solubility, LogSw

-2.71

Polar Surface Area

75.807

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

G598-0319 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 G598-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G598-0319?
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What is the minimum amount of G598-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G598-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G598-0319
  • 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 G598-0319 available by request