C799-0838 Screening compound: ethyl 2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]propanoate

C799-0838 Screening compound: ethyl 2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]propanoate
C799-0838 Screening compound: ethyl 2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C799-0838
ethyl 2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]propanoate

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

C799-0838

Molecular Formula

C21H21N5O3 (C21 H21 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H21N5O3/c1-4-29-21(28)15(3)25-20(27)17-18(14(2)22-25)23-26(16-10-6-5-7-11-16)19(17)24-12-8-9-13-24/h5-13,15H,4H2,1-3H3/t15-/m0/s1

InChI Key

IPZCLOQZOMRTQI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14799612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.505

Distribution Coefficient, logD

3.505

Water Solubility, LogSw

-3.62

Polar Surface Area

63.692

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

C799-0838 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

SH2 Library (10483 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with C799-0838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C799-0838?
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What is the minimum amount of C799-0838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C799-0838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C799-0838
  • 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 C799-0838 available by request