F747-0463 Screening compound: 5-(4-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-4-oxobutyl)-7-methyl-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one

F747-0463 Screening compound: 5-(4-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-4-oxobutyl)-7-methyl-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one
F747-0463 Screening compound: 5-(4-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-4-oxobutyl)-7-methyl-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F747-0463
5-(4-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-4-oxobutyl)-7-methyl-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one

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

F747-0463

Molecular Formula

C27H30N6O4 (C27 H30 N6 O4)

Compound Name

5-(4-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-4-oxobutyl)-7-methyl-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one

IUPAC name

5-(4-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-4-oxobutyl)-7-methyl-2-phenyl-3-(1H-pyrrol-1-yl)-2H4H5H-pyrazolo[34-d]pyridazin-4-one

SMILES

CC(c(c1c2-n3cccc3)nn2-c2ccccc2)=NN(CCCC(N(CC2)CCC22OCCO2)=O)C1=O

InChI

InChI=1S/C27H30N6O4/c1-20-24-23(25(31-13-5-6-14-31)33(29-24)21-8-3-2-4-9-21)26(35)32(28-20)15-7-10-22(34)30-16-11-27(12-17-30)36-18-19-37-27/h2-6,8-9,13-14H,7,10-12,15-19H2,1H3

InChI Key

PEPDIBJEJHENPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14965762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.043

Distribution Coefficient, logD

2.043

Water Solubility, LogSw

-2.14

Polar Surface Area

74.942

Acid Dissociation Constant (pKa)

21.57

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

F747-0463 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Adenosine Receptors Targeted Library (19896 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

References: we are preparing a list of scientific research reports with F747-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F747-0463?
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What is the minimum amount of F747-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F747-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F747-0463
  • 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 F747-0463 available by request