F747-0505 Screening compound: N-[2-(4-ethylpiperazin-1-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

F747-0505 Screening compound: N-[2-(4-ethylpiperazin-1-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
F747-0505 Screening compound: N-[2-(4-ethylpiperazin-1-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 F747-0505
N-[2-(4-ethylpiperazin-1-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

F747-0505

Molecular Formula

C28H36N8O2 (C28 H36 N8 O2)

Compound Name

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

SMILES

CCN1CCN(CCNC(CCCN(C(c2c3-n4cccc4)=O)N=C(C)c2nn3-c2ccccc2)=O)CC1

InChI

InChI=1S/C28H36N8O2/c1-3-32-18-20-33(21-19-32)17-13-29-24(37)12-9-16-35-28(38)25-26(22(2)30-35)31-36(23-10-5-4-6-11-23)27(25)34-14-7-8-15-34/h4-8,10-11,14-15H,3,9,12-13,16-21H2,1-2H3,(H,29,37)

InChI Key

MCNXTIKXTWUUMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27189097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.65

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

1.447

Distribution Coefficient, logD

0.654

Water Solubility, LogSw

-2.02

Polar Surface Area

75.945

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

F747-0505 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F747-0505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F747-0505?
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What is the minimum amount of F747-0505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F747-0505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F747-0505
  • 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 F747-0505 available by request