C890-0588 Screening compound: 2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-[(pyridin-2-yl)methyl]butanamide

C890-0588 Screening compound: 2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-[(pyridin-2-yl)methyl]butanamide
C890-0588 Screening compound: 2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-[(pyridin-2-yl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C890-0588
2-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-6-yl}-N-[(pyridin-2-yl)methyl]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

C890-0588

Molecular Formula

C24H25N5O2 (C24 H25 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(NCc1ncccc1)=O)n(c(C)c1C=NN2c3ccccc3)c(C)c1C2=O

InChI

InChI=1S/C24H25N5O2/c1-4-21(23(30)26-14-18-10-8-9-13-25-18)28-16(2)20-15-27-29(19-11-6-5-7-12-19)24(31)22(20)17(28)3/h5-13,15,21H,4,14H2,1-3H3,(H,26,30)/t21-/m0/s1

InChI Key

CNEASNPTKSNMIX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14806425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

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

2.308

Distribution Coefficient, logD

2.307

Water Solubility, LogSw

-2.58

Polar Surface Area

63.017

Acid Dissociation Constant (pKa)

12.10

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

C890-0588 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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 C890-0588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C890-0588?
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What is the minimum amount of C890-0588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C890-0588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C890-0588
  • 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 C890-0588 available by request