C890-0414 Screening compound: 2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-[(2-methoxyphenyl)methyl]propanamide

C890-0414 Screening compound: 2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-[(2-methoxyphenyl)methyl]propanamide
C890-0414 Screening compound: 2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-[(2-methoxyphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C890-0414
2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-[(2-methoxyphenyl)methyl]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

C890-0414

Molecular Formula

C25H26N4O3 (C25 H26 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C(NCc(cccc1)c1OC)=O)n(c(C)c1C=NN2c3ccccc3)c(C)c1C2=O

InChI

InChI=1S/C25H26N4O3/c1-16-21-15-27-29(20-11-6-5-7-12-20)25(31)23(21)17(2)28(16)18(3)24(30)26-14-19-10-8-9-13-22(19)32-4/h5-13,15,18H,14H2,1-4H3,(H,26,30)/t18-/m0/s1

InChI Key

GPPKACQPQIXLFV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14806391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.682

Distribution Coefficient, logD

2.681

Water Solubility, LogSw

-3.03

Polar Surface Area

61.519

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with C890-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C890-0414?
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What is the minimum amount of C890-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C890-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C890-0414
  • 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 C890-0414 available by request