C448-1443 Screening compound: ethyl 1-[5-methyl-3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carbonyl]piperidine-4-carboxylate

C448-1443 Screening compound: ethyl 1-[5-methyl-3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carbonyl]piperidine-4-carboxylate
C448-1443 Screening compound: ethyl 1-[5-methyl-3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carbonyl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C448-1443
ethyl 1-[5-methyl-3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carbonyl]piperidine-4-carboxylate

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

C448-1443

Molecular Formula

C27H28N4O4 (C27 H28 N4 O4)

Compound Name

ethyl 1-[5-methyl-3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carbonyl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[5-methyl-3-(4-methylphenyl)-4-oxo-3H4H5H-pyridazino[45-b]indole-1-carbonyl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(C(c1c2n(C)c3c1cccc3)=NN(c1ccc(C)cc1)C2=O)=O)=O

InChI

InChI=1S/C27H28N4O4/c1-4-35-27(34)18-13-15-30(16-14-18)25(32)23-22-20-7-5-6-8-21(20)29(3)24(22)26(33)31(28-23)19-11-9-17(2)10-12-19/h5-12,18H,4,13-16H2,1-3H3

InChI Key

GQJYSWCNFORBIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.706

Distribution Coefficient, logD

3.706

Water Solubility, LogSw

-4.02

Polar Surface Area

65.373

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C448-1443 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C448-1443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C448-1443?
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What is the minimum amount of C448-1443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C448-1443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C448-1443
  • 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 C448-1443 available by request