C891-1762 Screening compound: N-[3-(cyclohexylsulfanyl)propyl]-2-{6-[(4-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide

C891-1762 Screening compound: N-[3-(cyclohexylsulfanyl)propyl]-2-{6-[(4-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide
C891-1762 Screening compound: N-[3-(cyclohexylsulfanyl)propyl]-2-{6-[(4-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 C891-1762
N-[3-(cyclohexylsulfanyl)propyl]-2-{6-[(4-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

C891-1762

Molecular Formula

C26H33FN4O2S (C26 H33 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C=NN(CC(NCCCSC2CCCCC2)=O)C2=O)c2c(C)n1Cc(cc1)ccc1F

InChI

InChI=1S/C26H33FN4O2S/c1-18-23-15-29-31(17-24(32)28-13-6-14-34-22-7-4-3-5-8-22)26(33)25(23)19(2)30(18)16-20-9-11-21(27)12-10-20/h9-12,15,22H,3-8,13-14,16-17H2,1-2H3,(H,28,32)

InChI Key

BKUBYVKXNNNOBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.668

Distribution Coefficient, logD

3.668

Water Solubility, LogSw

-4.01

Polar Surface Area

54.433

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C891-1762 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C891-1762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C891-1762?
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What is the minimum amount of C891-1762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C891-1762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C891-1762
  • 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 C891-1762 available by request