S349-0422 Screening compound: ethyl 3-oxo-2-{[(4-phenylbutan-2-yl)carbamoyl]methyl}-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate

S349-0422 Screening compound: ethyl 3-oxo-2-{[(4-phenylbutan-2-yl)carbamoyl]methyl}-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate
S349-0422 Screening compound: ethyl 3-oxo-2-{[(4-phenylbutan-2-yl)carbamoyl]methyl}-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound S349-0422
ethyl 3-oxo-2-{[(4-phenylbutan-2-yl)carbamoyl]methyl}-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

S349-0422

Molecular Formula

C22H28N4O4 (C22 H28 N4 O4)

Compound Name

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

IUPAC name

ethyl 3-oxo-2-{[(4-phenylbutan-2-yl)carbamoyl]methyl}-2H3H5H6H7H8H-pyrido[43-c]pyridazine-6-carboxylate

SMILES

CCOC(N(CCC1=NN2CC(NC(C)CCc3ccccc3)=O)CC1=CC2=O)=O

InChI

InChI=1S/C22H28N4O4/c1-3-30-22(29)25-12-11-19-18(14-25)13-21(28)26(24-19)15-20(27)23-16(2)9-10-17-7-5-4-6-8-17/h4-8,13,16H,3,9-12,14-15H2,1-2H3,(H,23,27)/t16-/m0/s1

InChI Key

UZLIRWVAPLAPRT-INIZCTEOSA-N

MDL Number (MFCD)

MFCD28122296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.126

Distribution Coefficient, logD

2.126

Water Solubility, LogSw

-2.57

Polar Surface Area

74.859

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

S349-0422 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S349-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S349-0422?
Check Price and Availability of S349-0422, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S349-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S349-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S349-0422
  • 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 S349-0422 available by request