G598-0287 Screening compound: N-(4-ethoxyphenyl)-2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]propanamide

G598-0287 Screening compound: N-(4-ethoxyphenyl)-2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]propanamide
G598-0287 Screening compound: N-(4-ethoxyphenyl)-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 G598-0287
N-(4-ethoxyphenyl)-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

G598-0287

Molecular Formula

C27H26N6O3 (C27 H26 N6 O3)

Compound Name

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

SMILES

CCOc(cc1)ccc1NC(C(C)N(C(c1c2-n3cccc3)=O)N=C(C)c1nn2-c1ccccc1)=O

InChI

InChI=1S/C27H26N6O3/c1-4-36-22-14-12-20(13-15-22)28-25(34)19(3)32-27(35)23-24(18(2)29-32)30-33(21-10-6-5-7-11-21)26(23)31-16-8-9-17-31/h5-17,19H,4H2,1-3H3,(H,28,34)/t19-/m0/s1

InChI Key

IIFOICFCBBPMCV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27145715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.54

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

4.451

Distribution Coefficient, logD

4.451

Water Solubility, LogSw

-4.29

Polar Surface Area

73.153

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

3.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

G598-0287 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G598-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G598-0287?
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What is the minimum amount of G598-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G598-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G598-0287
  • 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 G598-0287 available by request