C448-1476 Screening compound: 5-methyl-3-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide

C448-1476 Screening compound: 5-methyl-3-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide
C448-1476 Screening compound: 5-methyl-3-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C448-1476
5-methyl-3-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]-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

C448-1476

Molecular Formula

C25H27N5O3 (C25 H27 N5 O3)

Compound Name

5-methyl-3-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide

IUPAC name

5-methyl-3-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]-4-oxo-3H4H5H-pyridazino[45-b]indole-1-carboxamide

SMILES

Cc(cc1)ccc1N(C1=O)N=C(C(NCCN2CCOCC2)=O)c2c1n(C)c1c2cccc1

InChI

InChI=1S/C25H27N5O3/c1-17-7-9-18(10-8-17)30-25(32)23-21(19-5-3-4-6-20(19)28(23)2)22(27-30)24(31)26-11-12-29-13-15-33-16-14-29/h3-10H,11-16H2,1-2H3,(H,26,31)

InChI Key

MTJHTKSXNGCOAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.279

Distribution Coefficient, logD

2.251

Water Solubility, LogSw

-2.73

Polar Surface Area

64.117

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C448-1476 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C448-1476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C448-1476?
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What is the minimum amount of C448-1476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C448-1476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C448-1476
  • 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 C448-1476 available by request