C891-1319 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-2-{5,7-dimethyl-6-[(4-methylphenyl)methyl]-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide

C891-1319 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-2-{5,7-dimethyl-6-[(4-methylphenyl)methyl]-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide
C891-1319 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-2-{5,7-dimethyl-6-[(4-methylphenyl)methyl]-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C891-1319
N-{3-[cyclohexyl(methyl)amino]propyl}-2-{5,7-dimethyl-6-[(4-methylphenyl)methyl]-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide

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

C891-1319

Molecular Formula

C28H39N5O2 (C28 H39 N5 O2)

Compound Name

N-{3-[cyclohexyl(methyl)amino]propyl}-2-{5,7-dimethyl-6-[(4-methylphenyl)methyl]-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide

IUPAC name

N-{3-[cyclohexyl(methyl)amino]propyl}-2-{57-dimethyl-6-[(4-methylphenyl)methyl]-1-oxo-1H2H6H-pyrrolo[34-d]pyridazin-2-yl}acetamide

SMILES

Cc1c(C=NN(CC(NCCCN(C)C2CCCCC2)=O)C2=O)c2c(C)n1Cc1ccc(C)cc1

InChI

InChI=1S/C28H39N5O2/c1-20-11-13-23(14-12-20)18-32-21(2)25-17-30-33(28(35)27(25)22(32)3)19-26(34)29-15-8-16-31(4)24-9-6-5-7-10-24/h11-14,17,24H,5-10,15-16,18-19H2,1-4H3,(H,29,34)

InChI Key

QPMFQJHBGPGGSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.094

Distribution Coefficient, logD

0.512

Water Solubility, LogSw

-3.13

Polar Surface Area

57.278

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.60

C891-1319 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • 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 C891-1319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C891-1319?
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What is the minimum amount of C891-1319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C891-1319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C891-1319
  • 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 C891-1319 available by request