C891-1983 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-2-{6-[(2-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide

C891-1983 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-2-{6-[(2-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide
C891-1983 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-2-{6-[(2-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C891-1983
N-{3-[cyclohexyl(methyl)amino]propyl}-2-{6-[(2-fluorophenyl)methyl]-5,7-dimethyl-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

C891-1983

Molecular Formula

C27H36FN5O2 (C27 H36 FN5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C=NN(CC(NCCCN(C)C2CCCCC2)=O)C2=O)c2c(C)n1Cc(cccc1)c1F

InChI

InChI=1S/C27H36FN5O2/c1-19-23-16-30-33(18-25(34)29-14-9-15-31(3)22-11-5-4-6-12-22)27(35)26(23)20(2)32(19)17-21-10-7-8-13-24(21)28/h7-8,10,13,16,22H,4-6,9,11-12,14-15,17-18H2,1-3H3,(H,29,34)

InChI Key

ZKHNGBACCYAMSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.61

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

2.949

Distribution Coefficient, logD

0.366

Water Solubility, LogSw

-3.10

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

51.90

C891-1983 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C891-1983 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C891-1983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C891-1983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C891-1983
  • 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 C891-1983 available by request