F747-0449 Screening compound: 4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide

F747-0449 Screening compound: 4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
F747-0449 Screening compound: 4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F747-0449
4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide

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

F747-0449

Molecular Formula

C27H31N7O3 (C27 H31 N7 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(c(c1c2-n3cccc3)nn2-c2ccccc2)=NN(CCCC(NCCCN(CCC2)C2=O)=O)C1=O

InChI

InChI=1S/C27H31N7O3/c1-20-25-24(26(32-15-5-6-16-32)34(30-25)21-10-3-2-4-11-21)27(37)33(29-20)19-7-12-22(35)28-14-9-18-31-17-8-13-23(31)36/h2-6,10-11,15-16H,7-9,12-14,17-19H2,1H3,(H,28,35)

InChI Key

XFCACUWUHZHNSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27189088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.940

Distribution Coefficient, logD

0.940

Water Solubility, LogSw

-1.82

Polar Surface Area

85.937

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

F747-0449 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F747-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F747-0449?
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What is the minimum amount of F747-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F747-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F747-0449
  • 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 F747-0449 available by request