C890-0940 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-4-(5,7-dimethyl-1-oxo-2-phenyl-1,2-dihydro-6H-pyrrolo[3,4-d]pyridazin-6-yl)butanamide

C890-0940 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-4-(5,7-dimethyl-1-oxo-2-phenyl-1,2-dihydro-6H-pyrrolo[3,4-d]pyridazin-6-yl)butanamide
C890-0940 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-4-(5,7-dimethyl-1-oxo-2-phenyl-1,2-dihydro-6H-pyrrolo[3,4-d]pyridazin-6-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C890-0940
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(5,7-dimethyl-1-oxo-2-phenyl-1,2-dihydro-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

C890-0940

Molecular Formula

C26H27ClN4O3 (C26 H27 ClN4 O3)

Compound Name

N-(4-chloro-2-methoxy-5-methylphenyl)-4-(5,7-dimethyl-1-oxo-2-phenyl-1,2-dihydro-6H-pyrrolo[3,4-d]pyridazin-6-yl)butanamide

IUPAC name

N-(4-chloro-2-methoxy-5-methylphenyl)-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(Nc(c(OC)c1)cc(C)c1Cl)=O

InChI

InChI=1S/C26H27ClN4O3/c1-16-13-22(23(34-4)14-21(16)27)29-24(32)11-8-12-30-17(2)20-15-28-31(19-9-6-5-7-10-19)26(33)25(20)18(30)3/h5-7,9-10,13-15H,8,11-12H2,1-4H3,(H,29,32)

InChI Key

VJAGXCOEFMLUFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.706

Distribution Coefficient, logD

3.671

Water Solubility, LogSw

-4.42

Polar Surface Area

58.569

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.92

C890-0940 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 C890-0940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C890-0940?
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What is the minimum amount of C890-0940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C890-0940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C890-0940
  • 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 C890-0940 available by request