F747-0464 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]butanamide

F747-0464 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]butanamide
F747-0464 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F747-0464
N-[2-(1H-indol-3-yl)ethyl]-4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]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

F747-0464

Molecular Formula

C30H29N7O2 (C30 H29 N7 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(c(c1c2-n3cccc3)nn2-c2ccccc2)=NN(CCCC(NCCc2c[nH]c3c2cccc3)=O)C1=O

InChI

InChI=1S/C30H29N7O2/c1-21-28-27(29(35-17-7-8-18-35)37(34-28)23-10-3-2-4-11-23)30(39)36(33-21)19-9-14-26(38)31-16-15-22-20-32-25-13-6-5-12-24(22)25/h2-8,10-13,17-18,20,32H,9,14-16,19H2,1H3,(H,31,38)

InChI Key

BFPHCQPULFAOJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27189090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.401

Distribution Coefficient, logD

3.401

Water Solubility, LogSw

-3.62

Polar Surface Area

78.296

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F747-0464 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with F747-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F747-0464?
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What is the minimum amount of F747-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F747-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F747-0464
  • 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 F747-0464 available by request