C448-1016 Screening compound: 1-(4-benzylpiperazine-1-carbonyl)-3-(4-methoxyphenyl)-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

C448-1016 Screening compound: 1-(4-benzylpiperazine-1-carbonyl)-3-(4-methoxyphenyl)-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one
C448-1016 Screening compound: 1-(4-benzylpiperazine-1-carbonyl)-3-(4-methoxyphenyl)-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C448-1016
1-(4-benzylpiperazine-1-carbonyl)-3-(4-methoxyphenyl)-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-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

C448-1016

Molecular Formula

C30H29N5O3 (C30 H29 N5 O3)

Compound Name

1-(4-benzylpiperazine-1-carbonyl)-3-(4-methoxyphenyl)-5-methyl-3H,4H,5H-pyridazino[4,5-b]indol-4-one

IUPAC name

1-(4-benzylpiperazine-1-carbonyl)-3-(4-methoxyphenyl)-5-methyl-3H4H5H-pyridazino[45-b]indol-4-one

SMILES

Cn(c1c2cccc1)c1c2C(C(N2CCN(Cc3ccccc3)CC2)=O)=NN(c(cc2)ccc2OC)C1=O

InChI

InChI=1S/C30H29N5O3/c1-32-25-11-7-6-10-24(25)26-27(31-35(30(37)28(26)32)22-12-14-23(38-2)15-13-22)29(36)34-18-16-33(17-19-34)20-21-8-4-3-5-9-21/h3-15H,16-20H2,1-2H3

InChI Key

KGSDCIYBVDQDKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.669

Distribution Coefficient, logD

3.662

Water Solubility, LogSw

-4.20

Polar Surface Area

55.703

Acid Dissociation Constant (pKa)

28.77

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

C448-1016 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C448-1016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C448-1016?
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What is the minimum amount of C448-1016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C448-1016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C448-1016
  • 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 C448-1016 available by request