C448-1472 Screening compound: N-[3-(diethylamino)propyl]-5-methyl-3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide

C448-1472 Screening compound: N-[3-(diethylamino)propyl]-5-methyl-3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide
C448-1472 Screening compound: N-[3-(diethylamino)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 C448-1472
N-[3-(diethylamino)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

C448-1472

Molecular Formula

C26H31N5O2 (C26 H31 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C26H31N5O2/c1-5-30(6-2)17-9-16-27-25(32)23-22-20-10-7-8-11-21(20)29(4)24(22)26(33)31(28-23)19-14-12-18(3)13-15-19/h7-8,10-15H,5-6,9,16-17H2,1-4H3,(H,27,32)

InChI Key

MHJFEBSHNMNCBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.546

Distribution Coefficient, logD

0.825

Water Solubility, LogSw

-3.80

Polar Surface Area

55.908

Acid Dissociation Constant (pKa)

14.62

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C448-1472 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human Kinases Annotated Library (2415 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C448-1472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C448-1472?
Check Price and Availability of C448-1472, 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 C448-1472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C448-1472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C448-1472
  • 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 C448-1472 available by request