C890-0148 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}acetamide

C890-0148 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}acetamide
C890-0148 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C890-0148
N-(2H-1,3-benzodioxol-5-yl)-2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}acetamide

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

C890-0148

Molecular Formula

C23H20N4O4 (C23 H20 N4 O4)

Compound Name

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

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{57-dimethyl-1-oxo-2-phenyl-1H2H6H-pyrrolo[34-d]pyridazin-6-yl}acetamide

SMILES

Cc1c(C=NN(c2ccccc2)C2=O)c2c(C)n1CC(Nc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C23H20N4O4/c1-14-18-11-24-27(17-6-4-3-5-7-17)23(29)22(18)15(2)26(14)12-21(28)25-16-8-9-19-20(10-16)31-13-30-19/h3-11H,12-13H2,1-2H3,(H,25,28)

InChI Key

WOXYNXIIFQJYQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.936

Distribution Coefficient, logD

2.936

Water Solubility, LogSw

-3.29

Polar Surface Area

68.773

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C890-0148 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 C890-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C890-0148?
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What is the minimum amount of C890-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C890-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C890-0148
  • 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 C890-0148 available by request