C448-1059 Screening compound: N-{3-[ethyl(phenyl)amino]propyl}-3-(4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide

C448-1059 Screening compound: N-{3-[ethyl(phenyl)amino]propyl}-3-(4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide
C448-1059 Screening compound: N-{3-[ethyl(phenyl)amino]propyl}-3-(4-methoxyphenyl)-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C448-1059
N-{3-[ethyl(phenyl)amino]propyl}-3-(4-methoxyphenyl)-5-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

C448-1059

Molecular Formula

C30H31N5O3 (C30 H31 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCN(CCCNC(C(c1c2n(C)c3c1cccc3)=NN(c(cc1)ccc1OC)C2=O)=O)c1ccccc1

InChI

InChI=1S/C30H31N5O3/c1-4-34(21-11-6-5-7-12-21)20-10-19-31-29(36)27-26-24-13-8-9-14-25(24)33(2)28(26)30(37)35(32-27)22-15-17-23(38-3)18-16-22/h5-9,11-18H,4,10,19-20H2,1-3H3,(H,31,36)

InChI Key

GNLVMTNRMFKGDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.472

Distribution Coefficient, logD

4.462

Water Solubility, LogSw

-4.24

Polar Surface Area

62.759

Acid Dissociation Constant (pKa)

14.05

Base Dissociation Constant (pKb)

8.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

C448-1059 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 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
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C448-1059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C448-1059?
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What is the minimum amount of C448-1059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C448-1059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C448-1059
  • 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 C448-1059 available by request