C799-0436 Screening compound: N-[(3-bromophenyl)methyl]-2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}propanamide

C799-0436 Screening compound: N-[(3-bromophenyl)methyl]-2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}propanamide
C799-0436 Screening compound: N-[(3-bromophenyl)methyl]-2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C799-0436
N-[(3-bromophenyl)methyl]-2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}propanamide

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

C799-0436

Molecular Formula

C24H23BrN4O2 (C24 H23 BrN4 O2)

Compound Name

N-[(3-bromophenyl)methyl]-2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}propanamide

IUPAC name

N-[(3-bromophenyl)methyl]-2-{57-dimethyl-1-oxo-2-phenyl-1H2H6H-pyrrolo[34-d]pyridazin-6-yl}propanamide

SMILES

CC(C(NCc1cccc(Br)c1)=O)n(c(C)c1C=NN2c3ccccc3)c(C)c1C2=O

InChI

InChI=1S/C24H23BrN4O2/c1-15-21-14-27-29(20-10-5-4-6-11-20)24(31)22(21)16(2)28(15)17(3)23(30)26-13-18-8-7-9-19(25)12-18/h4-12,14,17H,13H2,1-3H3,(H,26,30)/t17-/m0/s1

InChI Key

ZCRZMPVJYXFPBB-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14799518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.213

Distribution Coefficient, logD

3.213

Water Solubility, LogSw

-3.52

Polar Surface Area

53.889

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

C799-0436 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 C799-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C799-0436?
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What is the minimum amount of C799-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C799-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C799-0436
  • 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 C799-0436 available by request