C890-0840 Screening compound: N-benzyl-4-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}butanamide

C890-0840 Screening compound: N-benzyl-4-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}butanamide
C890-0840 Screening compound: N-benzyl-4-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C890-0840
N-benzyl-4-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}butanamide

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

C890-0840

Molecular Formula

C25H26N4O2 (C25 H26 N4 O2)

Compound Name

N-benzyl-4-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}butanamide

IUPAC name

N-benzyl-4-{57-dimethyl-1-oxo-2-phenyl-1H2H6H-pyrrolo[34-d]pyridazin-6-yl}butanamide

SMILES

Cc1c(C=NN(c2ccccc2)C2=O)c2c(C)n1CCCC(NCc1ccccc1)=O

InChI

InChI=1S/C25H26N4O2/c1-18-22-17-27-29(21-12-7-4-8-13-21)25(31)24(22)19(2)28(18)15-9-14-23(30)26-16-20-10-5-3-6-11-20/h3-8,10-13,17H,9,14-16H2,1-2H3,(H,26,30)

InChI Key

JKMCIVIMSGEVNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.455

Distribution Coefficient, logD

2.453

Water Solubility, LogSw

-2.69

Polar Surface Area

52.958

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with C890-0840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C890-0840?
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What is the minimum amount of C890-0840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C890-0840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C890-0840
  • 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 C890-0840 available by request