C448-1608 Screening compound: N-(3-cyanophenyl)-5-methyl-3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide

C448-1608 Screening compound: N-(3-cyanophenyl)-5-methyl-3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide
C448-1608 Screening compound: N-(3-cyanophenyl)-5-methyl-3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C448-1608
N-(3-cyanophenyl)-5-methyl-3-(4-methylphenyl)-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

C448-1608

Molecular Formula

C26H19N5O2 (C26 H19 N5 O2)

Compound Name

N-(3-cyanophenyl)-5-methyl-3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide

IUPAC name

N-(3-cyanophenyl)-5-methyl-3-(4-methylphenyl)-4-oxo-3H4H5H-pyridazino[45-b]indole-1-carboxamide

SMILES

Cc(cc1)ccc1N(C1=O)N=C(C(Nc2cc(C#N)ccc2)=O)c2c1n(C)c1c2cccc1

InChI

InChI=1S/C26H19N5O2/c1-16-10-12-19(13-11-16)31-26(33)24-22(20-8-3-4-9-21(20)30(24)2)23(29-31)25(32)28-18-7-5-6-17(14-18)15-27/h3-14H,1-2H3,(H,28,32)

InChI Key

PMUGOMPMQLALPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.445

Distribution Coefficient, logD

4.443

Water Solubility, LogSw

-4.55

Polar Surface Area

68.118

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

3.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

C448-1608 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with C448-1608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C448-1608?
Check Price and Availability of C448-1608, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C448-1608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C448-1608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C448-1608
  • 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 C448-1608 available by request