C890-0792 Screening compound: 5,7-dimethyl-6-{4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutyl}-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one

C890-0792 Screening compound: 5,7-dimethyl-6-{4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutyl}-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one
C890-0792 Screening compound: 5,7-dimethyl-6-{4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutyl}-2-phenyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C890-0792
5,7-dimethyl-6-{4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutyl}-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

C890-0792

Molecular Formula

C30H35N5O2 (C30 H35 N5 O2)

Compound Name

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

IUPAC name

57-dimethyl-6-{4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-oxobutyl}-2-phenyl-1H2H6H-pyrrolo[34-d]pyridazin-1-one

SMILES

CC(CN(CC1)C(CCCn(c(C)c2C=NN3c4ccccc4)c(C)c2C3=O)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C30H35N5O2/c1-21-10-8-13-26(18-21)33-17-16-32(20-22(33)2)28(36)14-9-15-34-23(3)27-19-31-35(25-11-6-5-7-12-25)30(37)29(27)24(34)4/h5-8,10-13,18-19,22H,9,14-17,20H2,1-4H3/t22-/m0/s1

InChI Key

AEBSXSGVEHWQQY-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14806479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.707

Distribution Coefficient, logD

3.705

Water Solubility, LogSw

-4.08

Polar Surface Area

47.358

Acid Dissociation Constant (pKa)

22.87

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.70

C890-0792 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 C890-0792 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C890-0792?
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What is the minimum amount of C890-0792 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C890-0792
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C890-0792
  • 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 C890-0792 available by request