C890-0621 Screening compound: 2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-(2,3-dimethylphenyl)butanamide

C890-0621 Screening compound: 2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-(2,3-dimethylphenyl)butanamide
C890-0621 Screening compound: 2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-(2,3-dimethylphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C890-0621
2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-(2,3-dimethylphenyl)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

C890-0621

Molecular Formula

C26H28N4O2 (C26 H28 N4 O2)

Compound Name

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

IUPAC name

2-{57-dimethyl-1-oxo-2-phenyl-1H2H6H-pyrrolo[34-d]pyridazin-6-yl}-N-(23-dimethylphenyl)butanamide

SMILES

CCC(C(Nc1c(C)c(C)ccc1)=O)n(c(C)c1C=NN2c3ccccc3)c(C)c1C2=O

InChI

InChI=1S/C26H28N4O2/c1-6-23(25(31)28-22-14-10-11-16(2)17(22)3)29-18(4)21-15-27-30(20-12-8-7-9-13-20)26(32)24(21)19(29)5/h7-15,23H,6H2,1-5H3,(H,28,31)/t23-/m0/s1

InChI Key

KDSNXPKLPSFRRD-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14806433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.53

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

4.546

Distribution Coefficient, logD

4.545

Water Solubility, LogSw

-4.42

Polar Surface Area

51.453

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with C890-0621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C890-0621?
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What is the minimum amount of C890-0621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C890-0621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C890-0621
  • 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 C890-0621 available by request