C891-2175 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-ethylpiperidin-1-yl)propyl]acetamide

C891-2175 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-ethylpiperidin-1-yl)propyl]acetamide
C891-2175 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-ethylpiperidin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C891-2175
2-{6-[(2-chlorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[3-(2-ethylpiperidin-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

C891-2175

Molecular Formula

C27H36ClN5O2 (C27 H36 ClN5 O2)

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-ethylpiperidin-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-ethylpiperidin-1-yl)propyl]acetamide

SMILES

CCC1N(CCCNC(CN2N=Cc3c(C)n(Cc(cccc4)c4Cl)c(C)c3C2=O)=O)CCCC1

InChI

InChI=1S/C27H36ClN5O2/c1-4-22-11-7-8-14-31(22)15-9-13-29-25(34)18-33-27(35)26-20(3)32(19(2)23(26)16-30-33)17-21-10-5-6-12-24(21)28/h5-6,10,12,16,22H,4,7-9,11,13-15,17-18H2,1-3H3,(H,29,34)/t22-/m0/s1

InChI Key

JKOBEOOIPVYXEC-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14807021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.07

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

3.261

Distribution Coefficient, logD

0.336

Water Solubility, LogSw

-3.80

Polar Surface Area

58.035

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

10.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.90

C891-2175 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • 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 C891-2175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C891-2175?
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What is the minimum amount of C891-2175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C891-2175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C891-2175
  • 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 C891-2175 available by request