F747-0491 Screening compound: N-[2-(3,5-dimethyl-1,2-oxazol-4-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

F747-0491 Screening compound: N-[2-(3,5-dimethyl-1,2-oxazol-4-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
F747-0491 Screening compound: N-[2-(3,5-dimethyl-1,2-oxazol-4-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 F747-0491
N-[2-(3,5-dimethyl-1,2-oxazol-4-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

F747-0491

Molecular Formula

C27H29N7O3 (C27 H29 N7 O3)

Compound Name

N-[2-(3,5-dimethyl-1,2-oxazol-4-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-(35-dimethyl-12-oxazol-4-yl)ethyl]-4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H4H5H-pyrazolo[34-d]pyridazin-5-yl]butanamide

SMILES

Cc1noc(C)c1CCNC(CCCN(C(c1c2-n3cccc3)=O)N=C(C)c1nn2-c1ccccc1)=O

InChI

InChI=1S/C27H29N7O3/c1-18-22(20(3)37-31-18)13-14-28-23(35)12-9-17-33-27(36)24-25(19(2)29-33)30-34(21-10-5-4-6-11-21)26(24)32-15-7-8-16-32/h4-8,10-11,15-16H,9,12-14,17H2,1-3H3,(H,28,35)

InChI Key

TVLPHCMGWIWIID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27189094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.282

Distribution Coefficient, logD

2.282

Water Solubility, LogSw

-2.65

Polar Surface Area

90.463

Acid Dissociation Constant (pKa)

14.79

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

F747-0491 in Drug Discovery

Included in Screening Libraries

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

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 F747-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F747-0491?
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What is the minimum amount of F747-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F747-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F747-0491
  • 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 F747-0491 available by request