C891-1711 Screening compound: 2-{6-[(4-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[2-(morpholin-4-yl)ethyl]acetamide

C891-1711 Screening compound: 2-{6-[(4-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[2-(morpholin-4-yl)ethyl]acetamide
C891-1711 Screening compound: 2-{6-[(4-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[2-(morpholin-4-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C891-1711
2-{6-[(4-fluorophenyl)methyl]-5,7-dimethyl-1-oxo-1H,2H,6H-pyrrolo[3,4-d]pyridazin-2-yl}-N-[2-(morpholin-4-yl)ethyl]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

C891-1711

Molecular Formula

C23H28FN5O3 (C23 H28 FN5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C=NN(CC(NCCN2CCOCC2)=O)C2=O)c2c(C)n1Cc(cc1)ccc1F

InChI

InChI=1S/C23H28FN5O3/c1-16-20-13-26-29(15-21(30)25-7-8-27-9-11-32-12-10-27)23(31)22(20)17(2)28(16)14-18-3-5-19(24)6-4-18/h3-6,13H,7-12,14-15H2,1-2H3,(H,25,30)

InChI Key

OYVIZBVJEFCWOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.723

Distribution Coefficient, logD

0.675

Water Solubility, LogSw

-2.11

Polar Surface Area

66.132

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

C891-1711 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C891-1711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C891-1711?
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What is the minimum amount of C891-1711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C891-1711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C891-1711
  • 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 C891-1711 available by request