C799-0840 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]acetate

C799-0840 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]acetate
C799-0840 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]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C799-0840
ethyl 2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]acetate

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

C799-0840

Molecular Formula

C20H19N5O3 (C20 H19 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]acetate

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H19N5O3/c1-3-28-16(26)13-24-20(27)17-18(14(2)21-24)22-25(15-9-5-4-6-10-15)19(17)23-11-7-8-12-23/h4-12H,3,13H2,1-2H3

InChI Key

OPTKSTSQRPBYEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14280705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.4

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

2.826

Distribution Coefficient, logD

2.826

Water Solubility, LogSw

-2.97

Polar Surface Area

64.564

Acid Dissociation Constant (pKa)

15.97

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C799-0840 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C799-0840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C799-0840?
Check Price and Availability of C799-0840, 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 C799-0840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C799-0840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C799-0840
  • 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 C799-0840 available by request