C891-2120 Screening compound: 2-{6-[(2-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C891-2120 Screening compound: 2-{6-[(2-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
C891-2120 Screening compound: 2-{6-[(2-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C891-2120
2-{6-[(2-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]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

C891-2120

Molecular Formula

C24H28ClN5O3 (C24 H28 ClN5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C=NN(CC(NCCCN(CCC2)C2=O)=O)C2=O)c2c(C)n1Cc(cccc1)c1Cl

InChI

InChI=1S/C24H28ClN5O3/c1-16-19-13-27-30(15-21(31)26-10-6-12-28-11-5-9-22(28)32)24(33)23(19)17(2)29(16)14-18-7-3-4-8-20(18)25/h3-4,7-8,13H,5-6,9-12,14-15H2,1-2H3,(H,26,31)

InChI Key

AAPQWIDEHWYHRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.067

Distribution Coefficient, logD

1.067

Water Solubility, LogSw

-2.87

Polar Surface Area

71.753

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C891-2120 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 C891-2120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C891-2120?
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What is the minimum amount of C891-2120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C891-2120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C891-2120
  • 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 C891-2120 available by request