S349-0441 Screening compound: ethyl 2-({[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}methyl)-3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate

S349-0441 Screening compound: ethyl 2-({[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}methyl)-3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate
S349-0441 Screening compound: ethyl 2-({[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}methyl)-3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound S349-0441
ethyl 2-({[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}methyl)-3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-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

S349-0441

Molecular Formula

C24H32N4O6 (C24 H32 N4 O6)

Compound Name

ethyl 2-({[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}methyl)-3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate

IUPAC name

ethyl 2-({[2-(34-diethoxyphenyl)ethyl]carbamoyl}methyl)-3-oxo-2H3H5H6H7H8H-pyrido[43-c]pyridazine-6-carboxylate

SMILES

CCOC(N(CCC1=NN2CC(NCCc(cc3)cc(OCC)c3OCC)=O)CC1=CC2=O)=O

InChI

InChI=1S/C24H32N4O6/c1-4-32-20-8-7-17(13-21(20)33-5-2)9-11-25-22(29)16-28-23(30)14-18-15-27(24(31)34-6-3)12-10-19(18)26-28/h7-8,13-14H,4-6,9-12,15-16H2,1-3H3,(H,25,29)

InChI Key

MBRYQXVULJLAAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28122303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.959

Distribution Coefficient, logD

0.959

Water Solubility, LogSw

-2.32

Polar Surface Area

89.680

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S349-0441 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S349-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S349-0441?
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What is the minimum amount of S349-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S349-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S349-0441
  • 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 S349-0441 available by request