C448-1552 Screening compound: N-(4-ethoxyphenyl)-N-ethyl-5-methyl-3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide

C448-1552 Screening compound: N-(4-ethoxyphenyl)-N-ethyl-5-methyl-3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide
C448-1552 Screening compound: N-(4-ethoxyphenyl)-N-ethyl-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 C448-1552
N-(4-ethoxyphenyl)-N-ethyl-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

C448-1552

Molecular Formula

C29H28N4O3 (C29 H28 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(C(c1c2n(C)c3c1cccc3)=NN(c1ccc(C)cc1)C2=O)=O)c(cc1)ccc1OCC

InChI

InChI=1S/C29H28N4O3/c1-5-32(20-15-17-22(18-16-20)36-6-2)28(34)26-25-23-9-7-8-10-24(23)31(4)27(25)29(35)33(30-26)21-13-11-19(3)12-14-21/h7-18H,5-6H2,1-4H3

InChI Key

YSPGCLNKWZWJSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.324

Distribution Coefficient, logD

5.324

Water Solubility, LogSw

-5.52

Polar Surface Area

50.442

Acid Dissociation Constant (pKa)

28.59

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with C448-1552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C448-1552?
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What is the minimum amount of C448-1552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C448-1552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C448-1552
  • 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 C448-1552 available by request