C448-1612 Screening compound: 5-methyl-3-(4-methylphenyl)-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide

C448-1612 Screening compound: 5-methyl-3-(4-methylphenyl)-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide
C448-1612 Screening compound: 5-methyl-3-(4-methylphenyl)-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C448-1612
5-methyl-3-(4-methylphenyl)-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide

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

C448-1612

Molecular Formula

C33H35N5O2 (C33 H35 N5 O2)

Compound Name

5-methyl-3-(4-methylphenyl)-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide

IUPAC name

5-methyl-3-(4-methylphenyl)-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-3H4H5H-pyridazino[45-b]indole-1-carboxamide

SMILES

Cc(cc1)ccc1N(C1=O)N=C(C(NCC2CCN(Cc3cc(C)ccc3)CC2)=O)c2c1n(C)c1c2cccc1

InChI

InChI=1S/C33H35N5O2/c1-22-11-13-26(14-12-22)38-33(40)31-29(27-9-4-5-10-28(27)36(31)3)30(35-38)32(39)34-20-24-15-17-37(18-16-24)21-25-8-6-7-23(2)19-25/h4-14,19,24H,15-18,20-21H2,1-3H3,(H,34,39)

InChI Key

CUANAFDDOUZWTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.476

Distribution Coefficient, logD

2.984

Water Solubility, LogSw

-5.72

Polar Surface Area

56.117

Acid Dissociation Constant (pKa)

13.69

Base Dissociation Constant (pKb)

9.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.30

C448-1612 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Others

References: we are preparing a list of scientific research reports with C448-1612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C448-1612?
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What is the minimum amount of C448-1612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C448-1612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C448-1612
  • 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 C448-1612 available by request