C448-1516 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-5-methyl-3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide

C448-1516 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-5-methyl-3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide
C448-1516 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-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 C448-1516
N-{3-[ethyl(3-methylphenyl)amino]propyl}-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

C448-1516

Molecular Formula

C31H33N5O2 (C31 H33 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCN(CCCNC(C(c1c2n(C)c3c1cccc3)=NN(c1ccc(C)cc1)C2=O)=O)c1cc(C)ccc1

InChI

InChI=1S/C31H33N5O2/c1-5-35(24-11-8-10-22(3)20-24)19-9-18-32-30(37)28-27-25-12-6-7-13-26(25)34(4)29(27)31(38)36(33-28)23-16-14-21(2)15-17-23/h6-8,10-17,20H,5,9,18-19H2,1-4H3,(H,32,37)

InChI Key

IWOXCGBLWOTMSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.356

Distribution Coefficient, logD

5.345

Water Solubility, LogSw

-5.47

Polar Surface Area

55.215

Acid Dissociation Constant (pKa)

14.05

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

C448-1516 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C448-1516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C448-1516?
Check Price and Availability of C448-1516, 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 C448-1516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C448-1516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C448-1516
  • 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 C448-1516 available by request