S349-0142 Screening compound: 2-{6-acetyl-3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazin-2-yl}-N-[4-(trifluoromethyl)phenyl]acetamide

S349-0142 Screening compound: 2-{6-acetyl-3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazin-2-yl}-N-[4-(trifluoromethyl)phenyl]acetamide
S349-0142 Screening compound: 2-{6-acetyl-3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazin-2-yl}-N-[4-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S349-0142
2-{6-acetyl-3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazin-2-yl}-N-[4-(trifluoromethyl)phenyl]acetamide

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

S349-0142

Molecular Formula

C18H17F3N4O3 (C18 H17 F3 N4 O3)

Compound Name

2-{6-acetyl-3-oxo-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazin-2-yl}-N-[4-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-{6-acetyl-3-oxo-2H3H5H6H7H8H-pyrido[43-c]pyridazin-2-yl}-N-[4-(trifluoromethyl)phenyl]acetamide

SMILES

CC(N(CCC1=NN2CC(Nc3ccc(C(F)(F)F)cc3)=O)CC1=CC2=O)=O

InChI

InChI=1S/C18H17F3N4O3/c1-11(26)24-7-6-15-12(9-24)8-17(28)25(23-15)10-16(27)22-14-4-2-13(3-5-14)18(19,20)21/h2-5,8H,6-7,9-10H2,1H3,(H,22,27)

InChI Key

PBPJXOMBZCJJNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28122330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.542

Distribution Coefficient, logD

1.542

Water Solubility, LogSw

-2.29

Polar Surface Area

68.511

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

S349-0142 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S349-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S349-0142?
Check Price and Availability of S349-0142, 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 S349-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S349-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S349-0142
  • 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 S349-0142 available by request