C890-0020 Screening compound: 6-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-5,7-dimethyl-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one

C890-0020 Screening compound: 6-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-5,7-dimethyl-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one
C890-0020 Screening compound: 6-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-5,7-dimethyl-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C890-0020
6-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-5,7-dimethyl-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one

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

C890-0020

Molecular Formula

C28H31N5O2 (C28 H31 N5 O2)

Compound Name

6-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-5,7-dimethyl-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one

IUPAC name

6-{2-[4-(25-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-57-dimethyl-2-phenyl-1H2H6H-pyrrolo[34-d]pyridazin-1-one

SMILES

Cc1c(C=NN(c2ccccc2)C2=O)c2c(C)n1CC(N(CC1)CCN1c1c(C)ccc(C)c1)=O

InChI

InChI=1S/C28H31N5O2/c1-19-10-11-20(2)25(16-19)30-12-14-31(15-13-30)26(34)18-32-21(3)24-17-29-33(23-8-6-5-7-9-23)28(35)27(24)22(32)4/h5-11,16-17H,12-15,18H2,1-4H3

InChI Key

XROREITZSPKMTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.846

Distribution Coefficient, logD

3.846

Water Solubility, LogSw

-4.12

Polar Surface Area

47.860

Acid Dissociation Constant (pKa)

23.07

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

C890-0020 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 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

References: we are preparing a list of scientific research reports with C890-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C890-0020?
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What is the minimum amount of C890-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C890-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C890-0020
  • 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 C890-0020 available by request