C891-2122 Screening compound: N-(3-acetylphenyl)-2-{6-[(2-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide

C891-2122 Screening compound: N-(3-acetylphenyl)-2-{6-[(2-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}acetamide
C891-2122 Screening compound: N-(3-acetylphenyl)-2-{6-[(2-chlorophenyl)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 C891-2122
N-(3-acetylphenyl)-2-{6-[(2-chlorophenyl)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

C891-2122

Molecular Formula

C25H23ClN4O3 (C25 H23 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(c1cccc(NC(CN2N=Cc3c(C)n(Cc(cccc4)c4Cl)c(C)c3C2=O)=O)c1)=O

InChI

InChI=1S/C25H23ClN4O3/c1-15-21-12-27-30(14-23(32)28-20-9-6-8-18(11-20)17(3)31)25(33)24(21)16(2)29(15)13-19-7-4-5-10-22(19)26/h4-12H,13-14H2,1-3H3,(H,28,32)

InChI Key

BWHAXDQPMHTWJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.565

Distribution Coefficient, logD

3.565

Water Solubility, LogSw

-4.22

Polar Surface Area

66.904

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C891-2122 in Drug Discovery

Included in Screening Libraries

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 C891-2122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C891-2122?
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What is the minimum amount of C891-2122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C891-2122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C891-2122
  • 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 C891-2122 available by request