CM3338-0412 Screening compound: 2-[1-(6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

CM3338-0412 Screening compound: 2-[1-(6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CM3338-0412 Screening compound: 2-[1-(6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3338-0412
2-[1-(6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-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

CM3338-0412

Molecular Formula

C18H19F3N4O2 (C18 H19 F3 N4 O2)

Compound Name

2-[1-(6-oxo-1,6-dihydropyridazin-4-yl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-[1-(6-oxo-16-dihydropyridazin-4-yl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CC(CCC1)CN1C(C=NN1)=CC1=O)Nc1ccc(C(F)(F)F)cc1

InChI

InChI=1S/C18H19F3N4O2/c19-18(20,21)13-3-5-14(6-4-13)23-16(26)8-12-2-1-7-25(11-12)15-9-17(27)24-22-10-15/h3-6,9-10,12H,1-2,7-8,11H2,(H,23,26)(H,24,27)/t12-/m1/s1

InChI Key

YCCJLAFKLBVOAR-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD30467172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.271

Distribution Coefficient, logD

3.225

Water Solubility, LogSw

-3.57

Polar Surface Area

64.980

Acid Dissociation Constant (pKa)

12.21

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

CM3338-0412 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with CM3338-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3338-0412?
Check Price and Availability of CM3338-0412, 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 CM3338-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3338-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3338-0412
  • 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 CM3338-0412 available by request