F747-0465 Screening compound: ethyl 1-{4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]butanoyl}piperidine-3-carboxylate

F747-0465 Screening compound: ethyl 1-{4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]butanoyl}piperidine-3-carboxylate
F747-0465 Screening compound: ethyl 1-{4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]butanoyl}piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F747-0465
ethyl 1-{4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]butanoyl}piperidine-3-carboxylate

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

F747-0465

Molecular Formula

C28H32N6O4 (C28 H32 N6 O4)

Compound Name

ethyl 1-{4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]butanoyl}piperidine-3-carboxylate

IUPAC name

ethyl 1-{4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H4H5H-pyrazolo[34-d]pyridazin-5-yl]butanoyl}piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(CCCN(C(c1c2-n3cccc3)=O)N=C(C)c1nn2-c1ccccc1)=O)=O

InChI

InChI=1S/C28H32N6O4/c1-3-38-28(37)21-11-9-17-32(19-21)23(35)14-10-18-33-27(36)24-25(20(2)29-33)30-34(22-12-5-4-6-13-22)26(24)31-15-7-8-16-31/h4-8,12-13,15-16,21H,3,9-11,14,17-19H2,1-2H3/t21-/m0/s1

InChI Key

KZSHNOTVUCPHIJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27189091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.961

Distribution Coefficient, logD

2.961

Water Solubility, LogSw

-3.07

Polar Surface Area

81.192

Acid Dissociation Constant (pKa)

21.57

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

F747-0465 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 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 F747-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F747-0465?
Check Price and Availability of F747-0465, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F747-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F747-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F747-0465
  • 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 F747-0465 available by request